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VEGFR, PDGFR, c-Kit

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Saracatinib (AZD0530)

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Src, Bcr-Abl

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Free Base

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379231-04-6

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1

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untitled.cdx

$$$$
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csChFnd80/03121814312D

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3

>  <Formula> (3)
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>  <Item Name> (3)
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>  <Synonyms> (3)
ARRY-142886

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MEK

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Free Base

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>  <CAS Number> (3)
606143-52-6

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>  <Mol_ID> (4)
4

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Nintedanib (BIBF 1120)

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N/A

>  <Target> (4)
VEGFR, PDGFR, FGFR

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Free Base

>  <URL> (4)
http://www.selleckchem.com/products/BIBF1120.html

>  <CAS Number> (4)
656247-17-5

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untitled.cdx

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/03121814312D

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>  <Mol_ID> (5)
5

>  <Formula> (5)
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>  <MolWeight> (5)
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Bosutinib (SKI-606)

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S1014

>  <Synonyms> (5)
N/A

>  <Target> (5)
Src

>  <Form> (5)
Free Base

>  <URL> (5)
http://www.selleckchem.com/products/Bosutinib.html

>  <CAS Number> (5)
380843-75-4

>  <ALogP> (5)
4.883

>  <HBA_Count> (5)
4

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1

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9

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Bosutinib (SKI-606).cdx

$$$$
untitled.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (6)
6

>  <Formula> (6)
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>  <MolWeight> (6)
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>  <Item Name> (6)
Cediranib (AZD2171)

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>  <Synonyms> (6)
Recentin

>  <Target> (6)
VEGFR, Flt

>  <Form> (6)
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>  <URL> (6)
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>  <CAS Number> (6)
288383-20-0

>  <ALogP> (6)
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untitled.cdx

$$$$
CI1040.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (7)
7

>  <Formula> (7)
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MEK

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>  <CAS Number> (7)
212631-79-3

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CI1040.cdx

$$$$
Dasatinib.cdx
csChFnd80/03121814312D

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Sprycel

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Src, Bcr-Abl, c-Kit

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Free Base

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302962-49-8

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c-Kit, FGFR, Flt, VEGFR, PDGFR

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10

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ZD-1839

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EGFR

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Free Base

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untitled.cdx

$$$$
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Glivec, CGP-57148B, STI-571

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$$$$
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GW-57201

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EGFR, HER2

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Ditosylat

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http://www.selleckchem.com/products/Lapatinib-Ditosylate.html

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388082-77-7

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Lapatinib Ditosylate.cdx

$$$$
untitled.cdx
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Linifanib (ABT-869)

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PDGFR, VEGFR

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Free Base

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$$$$
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>  <Name> (14)
Motesanib Diphosphate(AMG-706).cdx

$$$$
untitled.cdx
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15

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C28H22F3N7O

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Nilotinib (AMN-107)

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S1033

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Tasigna

>  <Target> (15)
Bcr-Abl

>  <Form> (15)
Free Base

>  <URL> (15)
http://www.selleckchem.com/products/Nilotinib.html

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641571-10-0

>  <ALogP> (15)
5.084

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5

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2

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7

>  <Name> (15)
untitled.cdx

$$$$
untitled.cdx
csChFnd80/03121814312D

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16

>  <Formula> (16)
C21H24ClN7O2S

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473.97896

>  <Item Name> (16)
Pazopanib HCl

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S1035

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GW786034

>  <Target> (16)
VEGFR, PDGFR, c-Kit

>  <Form> (16)
Hydrochloride

>  <URL> (16)
http://www.selleckchem.com/products/Pazopanib-Hydrochloride.html

>  <CAS Number> (16)
635702-64-6

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4.123

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5

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2

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5

>  <Name> (16)
untitled.cdx

$$$$
untitled.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (17)
17

>  <Formula> (17)
C16H14F3IN2O4

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PD0325901

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S1036

>  <Synonyms> (17)
N/A

>  <Target> (17)
MEK

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/PD-0325901.html

>  <CAS Number> (17)
391210-10-9

>  <ALogP> (17)
2.578

>  <HBA_Count> (17)
2

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4

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>  <Name> (17)
untitled.cdx

$$$$
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csChFnd80/03121814312D

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>  <Mol_ID> (18)
18

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N/A

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DNA-PK, PI3K, mTOR

>  <Form> (18)
Free Base

>  <URL> (18)
http://www.selleckchem.com/products/PI-103.html

>  <CAS Number> (18)
371935-74-9

>  <ALogP> (18)
2.798

>  <HBA_Count> (18)
5

>  <HBD_Count> (18)
1

>  <Num_RotatableBonds> (18)
2

>  <Name> (18)
1.cdx

$$$$
RAPAMYCIN.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C51H79NO13

>  <MolWeight> (19)
914.17186

>  <Item Name> (19)
Rapamycin (Sirolimus)

>  <Catalog Number> (19)
S1039

>  <Synonyms> (19)
N/A

>  <Target> (19)
mTOR

>  <Form> (19)
Free Base

>  <URL> (19)
http://www.selleckchem.com/products/Rapamycin.html

>  <CAS Number> (19)
53123-88-9

>  <ALogP> (19)
6.295

>  <HBA_Count> (19)
10

>  <HBD_Count> (19)
2

>  <Num_RotatableBonds> (19)
6

>  <Name> (19)
RAPAMYCIN.cdx

$$$$

csChFnd80/03121814312D

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M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C28H24ClF3N4O6S

>  <MolWeight> (20)
637.0265696

>  <Item Name> (20)
Sorafenib Tosylate

>  <Catalog Number> (20)
S1040

>  <Synonyms> (20)
Bay 43-9006

>  <Target> (20)
VEGFR, PDGFR, Raf

>  <Form> (20)
Tosylate

>  <URL> (20)
http://www.selleckchem.com/products/Sorafenib-Tosylate.html

>  <CAS Number> (20)
475207-59-1

>  <ALogP> (20)
5.824

>  <HBA_Count> (20)
4

>  <HBD_Count> (20)
3

>  <Num_RotatableBonds> (20)
7

$$$$

csChFnd80/03121814312D

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M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C26H33FN4O7

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532.5612232

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Sunitinib Malate (Sutent)

>  <Catalog Number> (21)
S1042

>  <Synonyms> (21)
SU-11248

>  <Target> (21)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (21)
Malate

>  <URL> (21)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

>  <CAS Number> (21)
341031-54-7

>  <ALogP> (21)
-1.049

>  <HBA_Count> (21)
4

>  <HBD_Count> (21)
4

>  <Num_RotatableBonds> (21)
10

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C23H28N8OS

>  <MolWeight> (22)
464.58642

>  <Item Name> (22)
VX-680 (MK-0457, Tozasertib)

>  <Catalog Number> (22)
S1048

>  <Synonyms> (22)
N/A

>  <Target> (22)
Aurora Kinase

>  <Form> (22)
Free Base

>  <URL> (22)
http://www.selleckchem.com/products/VX-680(MK-0457).html

>  <CAS Number> (22)
639089-54-6

>  <ALogP> (22)
4.445

>  <HBA_Count> (22)
4

>  <HBD_Count> (22)
3

>  <Num_RotatableBonds> (22)
7

>  <Name> (22)
untitled.cdx

$$$$
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csChFnd80/03121814312D

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M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C14H23Cl2N3O

>  <MolWeight> (23)
320.25792

>  <Item Name> (23)
Y-27632 2HCl

>  <Catalog Number> (23)
S1049

>  <Synonyms> (23)
N/A

>  <Target> (23)
ROCK

>  <Form> (23)
Dihydrochloride

>  <URL> (23)
http://www.selleckchem.com/products/Y-27632.html

>  <CAS Number> (23)
129830-38-2

>  <ALogP> (23)
1.871

>  <HBA_Count> (23)
2

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2

>  <Num_RotatableBonds> (23)
3

>  <Name> (23)
Y-27632 2HCL.cdx

$$$$
untitled.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C32H29N5O2

>  <MolWeight> (24)
515.60496

>  <Item Name> (24)
Enzastaurin (LY317615)

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S1055

>  <Synonyms> (24)
N/A

>  <Target> (24)
PKC

>  <Form> (24)
Free Base

>  <URL> (24)
http://www.selleckchem.com/products/Enzastaurin.html

>  <CAS Number> (24)
170364-57-5

>  <ALogP> (24)
4.32

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3

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1

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5

>  <Name> (24)
untitled.cdx

$$$$
untitled.cdx
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26

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PI3K

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957054-30-7

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untitled.cdx

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p38 MAPK

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>  <HBA_Count> (32)
4

>  <HBD_Count> (32)
2

>  <Num_RotatableBonds> (32)
5

>  <Name> (32)
untitled.cdx

$$$$
Brivanib.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C19H19FN4O3

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370.3775632

>  <Item Name> (33)
Brivanib (BMS-540215)

>  <Catalog Number> (33)
S1084

>  <Synonyms> (33)
N/A

>  <Target> (33)
VEGFR, FGFR

>  <Form> (33)
Free Base

>  <URL> (33)
http://www.selleckchem.com/products/Brivanib.html

>  <CAS Number> (33)
649735-46-6

>  <ALogP> (33)
3.481

>  <HBA_Count> (33)
4

>  <HBD_Count> (33)
2

>  <Num_RotatableBonds> (33)
5

>  <Name> (33)
Brivanib.cdx

$$$$
untitled.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C21H17NO3S2

>  <MolWeight> (34)
395.49458

>  <Item Name> (34)
KU-55933 (ATM Kinase Inhibitor)

>  <Catalog Number> (34)
S1092

>  <Synonyms> (34)
N/A

>  <Target> (34)
ATM

>  <Form> (34)
Free Base

>  <URL> (34)
http://www.selleckchem.com/products/KU-55933.html

>  <CAS Number> (34)
587871-26-9

>  <ALogP> (34)
4.393

>  <HBA_Count> (34)
3

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0

>  <Num_RotatableBonds> (34)
2

>  <Name> (34)
untitled.cdx

$$$$
untitled.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (35)
35

>  <Formula> (35)
C44H47F2N9O5S

>  <MolWeight> (35)
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>  <Item Name> (35)
GSK1904529A

>  <Catalog Number> (35)
S1093

>  <Synonyms> (35)
N/A

>  <Target> (35)
IGF-1R

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/GSK1904529A.html

>  <CAS Number> (35)
1089283-49-7

>  <ALogP> (35)
6.571

>  <HBA_Count> (35)
8

>  <HBD_Count> (35)
2

>  <Num_RotatableBonds> (35)
12

>  <Name> (35)
untitled.cdx

$$$$
untitled.cdx
csChFnd80/03121814312D

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Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

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PLK

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Free Base

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755038-02-9

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c-Met, VEGFR

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c-Met

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untitled.cdx

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Everolimus.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (48)
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Everolimus (RAD001)

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Certican, Zortress, Afinitor

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mTOR

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Free Base

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Everolimus.cdx

$$$$
mln8237.cdx
csChFnd80/03121814312D

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Aurora Kinase

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Cabozantinib (XL184, BMS-907351)

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S1119

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BMS-907351

>  <Target> (50)
VEGFR, c-Met, Flt, Tie-2, c-Kit

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Free Base

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http://www.selleckchem.com/products/XL184.html

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849217-68-1

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XL-184 free base.cdx

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AT9283

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S1134

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N/A

>  <Target> (51)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (51)
Free Base

>  <URL> (51)
http://www.selleckchem.com/products/AT9283.html

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896466-04-9

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1.51

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4

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4

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AT9283.cdx

$$$$

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52

>  <Formula> (52)
C22H24FN5O4

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>  <Item Name> (52)
Brivanib alaninate (BMS-582664)

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S1138

>  <Synonyms> (52)
N/A

>  <Target> (52)
VEGFR, FGFR

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Alaninate

>  <URL> (52)
http://www.selleckchem.com/products/Brivanib-alaninate.html

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649735-63-7

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3.383

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6

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53

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JAK, EGFR

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>  <Name> (53)
AG-490.cdx

$$$$
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55

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Barasertib (AZD1152-HQPA)

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S1147

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AZD1152

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Aurora Kinase

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Free Base

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http://www.selleckchem.com/products/AZD1152-HQPA.html

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722544-51-6

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3.493

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S1152

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N/A

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Raf

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http://www.selleckchem.com/products/PLX-4720.html

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918505-84-7

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csChFnd80/03121814312D

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CDK

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186692-46-6

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csChFnd80/03121814312D

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Aurora Kinase

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EGFR, HER2

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PI3K

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EGFR

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Free Base

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1214265-57-2

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N/A

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Flt, Aurora Kinase, VEGFR

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Tartaric Acid

>  <URL> (67)
http://www.selleckchem.com/products/ENMD-2076.html

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934353-76-1

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4.015

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3

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2

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ENMD-2076.cdx

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S119401 CUDC-101.cdx
csChFnd80/03121814312D

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HDAC, EGFR, HER2

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S119401 CUDC-101.cdx

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VEGFR, c-Kit, PDGFR

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OSI-930.cdx
csChFnd80/03121814312D

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EGFR

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   10.8909    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    8.3879    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.1951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 32 27  1  0  0  0  0
 32 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C24H18F3N3O4

>  <MolWeight> (81)
469.4126296

>  <Item Name> (81)
Ki8751

>  <Catalog Number> (81)
S1363

>  <Synonyms> (81)
N/A

>  <Target> (81)
VEGFR, c-Kit, PDGFR

>  <Form> (81)
Free Base

>  <URL> (81)
http://www.selleckchem.com/products/Ki8751.html

>  <CAS Number> (81)
228559-41-9

>  <ALogP> (81)
4.853

>  <HBA_Count> (81)
5

>  <HBD_Count> (81)
2

>  <Num_RotatableBonds> (81)
6

>  <Name> (81)
KI8751.cdx

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/03121814312D

 33 35  0  0  0  0  0  0  0  0999 V2000
   10.8798    4.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8798    3.5415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    2.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    3.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    4.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    5.6415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    2.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6716    5.6391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4633    4.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2551    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    4.9415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    7.0391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    7.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    7.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    4.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056    7.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6592    1.4516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0286    1.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7919    3.4134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7253    4.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9378    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7253    7.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    7.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1161    2.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1460    7.7367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    7.7367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  3  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24  8  2  0  0  0  0
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 25 26  1  0  0  0  0
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 29  7  1  0  0  0  0
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 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C22H19Cl3N8

>  <MolWeight> (82)
501.79886

>  <Item Name> (82)
CHIR-99021 (CT99021) HCl

>  <Catalog Number> (82)
S2924

>  <Synonyms> (82)
N/A

>  <Target> (82)
PI3K/Akt/mTOR

>  <Form> (82)
Hydrochloride

>  <URL> (82)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

>  <CAS Number> (82)
252917-06-9 (free base)

>  <ALogP> (82)
4.858

>  <HBA_Count> (82)
4

>  <HBD_Count> (82)
3

>  <Num_RotatableBonds> (82)
7

>  <Name> (82)
CHIR-99021 (CT99021) hcl.cdx

$$$$
Pelitinib.cdx
csChFnd80/03121814312D

 33 35  0  0  0  0  0  0  0  0999 V2000
    8.4576    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0949    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    8.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3031    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5156    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C24H23ClFN5O2

>  <MolWeight> (83)
467.9231232

>  <Item Name> (83)
Pelitinib (EKB-569)

>  <Catalog Number> (83)
S1392

>  <Synonyms> (83)
WAY-EKB 569

>  <Target> (83)
EGFR

>  <Form> (83)
Free Base

>  <URL> (83)
http://www.selleckchem.com/products/Pelitinib.html

>  <CAS Number> (83)
257933-82-7

>  <ALogP> (83)
4.455

>  <HBA_Count> (83)
3

>  <HBD_Count> (83)
2

>  <Num_RotatableBonds> (83)
8

>  <Name> (83)
Pelitinib.cdx

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/03121814312D

 42 46  0  0  0  0  0  0  0  0999 V2000
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   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3611    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C31H31ClFN7O2

>  <MolWeight> (84)
588.0749432

>  <Item Name> (84)
Aurora A Inhibitor I

>  <Catalog Number> (84)
S1451

>  <Synonyms> (84)
N/A

>  <Target> (84)
Aurora Kinase

>  <Form> (84)
Free Base

>  <URL> (84)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

>  <CAS Number> (84)
1158838-45-9

>  <ALogP> (84)
5.621

>  <HBA_Count> (84)
4

>  <HBD_Count> (84)
3

>  <Num_RotatableBonds> (84)
9

>  <Name> (84)
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ROCK

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sp600125.cdx

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csChFnd80/03121814312D

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CDK

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   10.8783    7.3597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0865    8.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0865    9.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989   10.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989   11.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0865   12.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8741   11.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8741   10.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9672    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C22H33ClN6

>  <MolWeight> (112)
416.99062

>  <Item Name> (112)
BS-181 HCl

>  <Catalog Number> (112)
S1572

>  <Synonyms> (112)
N/A

>  <Target> (112)
CDK

>  <Form> (112)
Hydrochloride

>  <URL> (112)
http://www.selleckchem.com/products/BS-181.html

>  <CAS Number> (112)
1397219-81-6

>  <ALogP> (112)
4.684

>  <HBA_Count> (112)
2

>  <HBD_Count> (112)
3

>  <Num_RotatableBonds> (112)
11

>  <Name> (112)
BS-181.cdx

$$$$
Fasudil HCl.cdx
csChFnd80/03121814312D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9108    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5431    5.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1480    2.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    1.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    1.2490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    4.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C14H18ClN3O2S

>  <MolWeight> (113)
327.82962

>  <Item Name> (113)
Fasudil HCl (HA-1077)

>  <Catalog Number> (113)
S1573

>  <Synonyms> (113)
AT-877

>  <Target> (113)
ROCK

>  <Form> (113)
Hydrochloride

>  <URL> (113)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (113)
105628-07-7

>  <ALogP> (113)
0.57

>  <HBA_Count> (113)
3

>  <HBD_Count> (113)
1

>  <Num_RotatableBonds> (113)
2

>  <Name> (113)
Fasudil HCl.cdx

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/03121814312D

 39 43  0  0  0  0  0  0  0  0999 V2000
    8.3036    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    8.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3532    8.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5614    7.4376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    5.3400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4707    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1917    5.4681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    8.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075   10.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252   10.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    4.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    3.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    2.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    1.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5614    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7738    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    6.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    7.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7738    8.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C31H37N5O3

>  <MolWeight> (114)
527.65718

>  <Item Name> (114)
BIRB 796 (Doramapimod)

>  <Catalog Number> (114)
S1574

>  <Synonyms> (114)
N/A

>  <Target> (114)
p38 MAPK

>  <Form> (114)
Free Base

>  <URL> (114)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (114)
285983-48-4

>  <ALogP> (114)
5.907

>  <HBA_Count> (114)
4

>  <HBD_Count> (114)
2

>  <Num_RotatableBonds> (114)
8

>  <Name> (114)
BIRB 796 (Doramapimod).cdx

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/03121814312D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6330    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0282    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    5.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    6.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9251    6.4176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9251    5.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375    4.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1282    2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8282    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2233    3.4976    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   16.9209    2.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9209    4.7058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 18 25  2  0  0  0  0
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 29 18  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C26H21N3O2S

>  <MolWeight> (115)
439.52884

>  <Item Name> (115)
Tie2 kinase inhibitor

>  <Catalog Number> (115)
S1577

>  <Synonyms> (115)
N/A

>  <Target> (115)
Tie-2

>  <Form> (115)
Free Base

>  <URL> (115)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

>  <CAS Number> (115)
948557-43-5

>  <ALogP> (115)
4.57

>  <HBA_Count> (115)
4

>  <HBD_Count> (115)
1

>  <Num_RotatableBonds> (115)
5

>  <Name> (115)
Tie 2k inase inhibitor.cdx

$$$$

csChFnd80/03121814312D

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.2249  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373  -13.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0745  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -11.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C27H30Cl2F2N6O

>  <MolWeight> (116)
563.4695064

>  <Item Name> (116)
NVP-BSK805 2HCl

>  <Catalog Number> (116)
S2686

>  <Synonyms> (116)
N/A

>  <Target> (116)
JAK

>  <Form> (116)
HCl

>  <URL> (116)
http://www.selleckchem.com/products/nvp-bsk805.html

>  <CAS Number> (116)
1092499-93-8 (free base)

>  <ALogP> (116)
3.92

>  <HBA_Count> (116)
4

>  <HBD_Count> (116)
1

>  <Num_RotatableBonds> (116)
5

$$$$
DCC-2036.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C30H28FN7O3

>  <MolWeight> (117)
553.5868232

>  <Item Name> (117)
DCC-2036 (Rebastinib)

>  <Catalog Number> (117)
S2634

>  <Synonyms> (117)
N/A

>  <Target> (117)
Bcr-Abl

>  <Form> (117)
Free Base

>  <URL> (117)
http://www.selleckchem.com/products/dcc-2036.html

>  <CAS Number> (117)
1020172-07-9

>  <ALogP> (117)
5.14

>  <HBA_Count> (117)
6

>  <HBD_Count> (117)
3

>  <Num_RotatableBonds> (117)
7

>  <Name> (117)
DCC-2036.cdx

$$$$
Indirubin.cdx
csChFnd80/03121814312D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C16H10N2O2

>  <MolWeight> (118)
262.2628

>  <Item Name> (118)
Indirubin

>  <Catalog Number> (118)
S2386

>  <Synonyms> (118)
N/A

>  <Target> (118)
GSK-3

>  <Form> (118)
Free Base

>  <URL> (118)
http://www.selleckchem.com/products/Indirubin.html

>  <CAS Number> (118)
479-41-4

>  <ALogP> (118)
1.876

>  <HBA_Count> (118)
2

>  <HBD_Count> (118)
2

>  <Num_RotatableBonds> (118)
0

>  <Name> (118)
Indirubin.cdx

$$$$
Quercetin.cdx
csChFnd80/03121814312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C15H10O7

>  <MolWeight> (119)
302.2357

>  <Item Name> (119)
Quercetin (Sophoretin)

>  <Catalog Number> (119)
S2391

>  <Synonyms> (119)
Meletin, Quercetine

>  <Target> (119)
PI3K, PKC, Src, Sirtuin

>  <Form> (119)
Free Base

>  <URL> (119)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

>  <CAS Number> (119)
117-39-5

>  <ALogP> (119)
1.63

>  <HBA_Count> (119)
2

>  <HBD_Count> (119)
5

>  <Num_RotatableBonds> (119)
1

>  <Name> (119)
Quercetin.cdx

$$$$
E7080.cdx
csChFnd80/03121814312D

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JAK

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AZD8931.cdx

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PLK

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GSK 461364.cdx

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CP-473420

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EGFR

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Hydrochloride

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OSI 420.cdx

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>  <Mol_ID> (132)
132

>  <Formula> (132)
C22H19N7O

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S2207

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>  <Target> (132)
PI3K

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Free Base

>  <URL> (132)
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900185-01-5

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PIK 293.cdx

$$$$
AZ 960.cdx
csChFnd80/03121814312D

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S2214

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JAK

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Free Base

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905586-69-8

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2

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3

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5

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AZ 960.cdx

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Mubritinib.cdx
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134

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HER2

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>  <URL> (134)
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366017-09-6

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Mubritinib.cdx

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PP442.cdx
csChFnd80/03121814312D

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TORKinib

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mTOR

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csChFnd80/03121814312D

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136

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C23H22N6O2

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Momelotinib (CYT387)

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S2219

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CYT 11387

>  <Target> (136)
JAK

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Free Base

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1056634-68-4

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CYT 387.cdx

$$$$
SB 590885.cdx
csChFnd80/03121814312D

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Raf

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SB 590885.cdx

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Asiatic acid.cdx
csChFnd80/03121814312D

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p38 MAPK

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$$$$
Honokiol.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (139)
139

>  <Formula> (139)
C18H18O2

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266.33432

>  <Item Name> (139)
Honokiol

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S2310

>  <Synonyms> (139)
N/A

>  <Target> (139)
Akt, MEK

>  <Form> (139)
Free Base

>  <URL> (139)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (139)
35354-74-6

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4.88

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0

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2

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Honokiol.cdx

$$$$
Chrysophanic acid.cdx
csChFnd80/03121814312D

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140

>  <Formula> (140)
C15H10O4

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254.2375

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Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (140)
S2406

>  <Synonyms> (140)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (140)
EGFR, mTOR

>  <Form> (140)
Free Base

>  <URL> (140)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (140)
481-74-3

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2.81

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2

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2

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0

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Chrysophanic acid.cdx

$$$$
PCI-32765.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (141)
141

>  <Formula> (141)
C25H24N6O2

>  <MolWeight> (141)
440.49706

>  <Item Name> (141)
PCI-32765 (Ibrutinib)

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S2680

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N/A

>  <Target> (141)
Src

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Free Base

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936563-96-1

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1

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5

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PCI-32765.cdx

$$$$
TAK-901.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (142)
142

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C28H32N4O3S

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TAK-901

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S2718

>  <Synonyms> (142)
N/A

>  <Target> (142)
Aurora Kinase

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Free Base

>  <URL> (142)
http://www.selleckchem.com/products/tak-901.html

>  <CAS Number> (142)
934541-31-8

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4.056

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>  <Name> (142)
TAK-901.cdx

$$$$
TG1012009.cdx
csChFnd80/03121814312D

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Aurora Kinase

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p38 MAPK

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JAK

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CP-690550 citrate.cdx

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mTOR

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N/A

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mTOR, PI3K

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GDC 0980.cdx

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>  <Formula> (186)
C21H21Cl2NO5

>  <MolWeight> (186)
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>  <Item Name> (186)
Flavopiridol (Alvocidib) HCl

>  <Catalog Number> (186)
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>  <Synonyms> (186)
N/A

>  <Target> (186)
CDK

>  <Form> (186)
Hydrochloride

>  <URL> (186)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

>  <CAS Number> (186)
131740-09-5

>  <ALogP> (186)
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Flavopiridol hydrochloride.cdx

$$$$
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>  <Formula> (187)
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>  <Item Name> (187)
PH-797804

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>  <Synonyms> (187)
N/A

>  <Target> (187)
p38 MAPK

>  <Form> (187)
Free Base

>  <URL> (187)
http://www.selleckchem.com/products/ph-797804.html

>  <CAS Number> (187)
586379-66-0

>  <ALogP> (187)
3.801

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>  <Name> (187)
PH797804.cdx

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csChFnd80/03121814312D

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188

>  <Formula> (188)
C24H25ClFN5O2

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>  <Item Name> (188)
Dacomitinib (PF299804, PF-00299804)

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S2727

>  <Synonyms> (188)
N/A

>  <Target> (188)
EGFR

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Free Base

>  <URL> (188)
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1110813-31-4

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5.055

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2

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>  <Name> (188)
PF299804.cdx

$$$$
SB415286.cdx
csChFnd80/03121814312D

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Raf

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AZ628.cdx

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EGFR, HER2

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>  <Mol_ID> (201)
201

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C32H29F3N6O6

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NVP-BGT226

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S2749

>  <Synonyms> (201)
N/A

>  <Target> (201)
PI3K, mTOR

>  <Form> (201)
Maleate

>  <URL> (201)
http://www.selleckchem.com/products/nvp-bgt226.html

>  <CAS Number> (201)
1245537-68-1

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1.618

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6

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>  <Name> (201)
NVP-BGT226.cdx

$$$$
YM201636.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (202)
202

>  <Formula> (202)
C25H21N7O3

>  <MolWeight> (202)
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S1219

>  <Synonyms> (202)
N/A

>  <Target> (202)
PI3K

>  <Form> (202)
Free Base

>  <URL> (202)
http://www.selleckchem.com/products/ym201636.html

>  <CAS Number> (202)
371942-69-7

>  <ALogP> (202)
2.467

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7

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2

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4

>  <Name> (202)
YM201636.cdx

$$$$
AG1024.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (203)
203

>  <Formula> (203)
C14H13BrN2O

>  <MolWeight> (203)
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AG-1024

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S1234

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N/A

>  <Target> (203)
IGF-1R

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Free Base

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>  <CAS Number> (203)
65678-07-1

>  <ALogP> (203)
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0

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AG1024.cdx

$$$$
3-Methyladenine.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (204)
204

>  <Formula> (204)
C6H7N5

>  <MolWeight> (204)
149.15328

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3-Methyladenine (3-MA)

>  <Catalog Number> (204)
S2767

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3-MA

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PI3K

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>  <URL> (204)
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>  <CAS Number> (204)
5142-23-4

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-0.236

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3

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1

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0

>  <Name> (204)
3-Methyladenine.cdx

$$$$
ARQ-197.cdx
csChFnd80/03121814312D

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c-Met

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905854-02-6

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ARQ-197.cdx

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PDK-1, IKK

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http://www.selleckchem.com/products/bx-795.html

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702675-74-9

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BX-795.cdx

$$$$
BX-912.cdx
csChFnd80/03121814312D

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PDK-1

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BX-912.cdx

$$$$
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csChFnd80/03121814312D

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c-Met

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1185763-69-2

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NVP-BVU972.cdx

$$$$
CUDC-907.cdx
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M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C23H24N8O4S

>  <MolWeight> (209)
508.55286

>  <Item Name> (209)
CUDC-907

>  <Catalog Number> (209)
S2759

>  <Synonyms> (209)
N/A

>  <Target> (209)
HDAC, PI3K

>  <Form> (209)
Free Base

>  <URL> (209)
http://www.selleckchem.com/products/cudc-907.html

>  <CAS Number> (209)
1339928-25-4

>  <ALogP> (209)
2.303

>  <HBA_Count> (209)
8

>  <HBD_Count> (209)
1

>  <Num_RotatableBonds> (209)
7

>  <Name> (209)
CUDC-907.cdx

$$$$

csChFnd80/03121814312D

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M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C27H33FN6O7

>  <MolWeight> (210)
572.5853232

>  <Item Name> (210)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Catalog Number> (210)
S2769

>  <Synonyms> (210)
CHIR-258 Dilactic acid

>  <Target> (210)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (210)
Dilactic Acid

>  <URL> (210)
http://www.selleckchem.com/products/dovitinib.html

>  <CAS Number> (210)
852433-84-2

>  <ALogP> (210)
-2.038

>  <HBA_Count> (210)
4

>  <HBD_Count> (210)
5

>  <Num_RotatableBonds> (210)
4

$$$$
AST-1306.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C31H26ClFN4O5S

>  <MolWeight> (211)
621.0783432

>  <Item Name> (211)
AST-1306

>  <Catalog Number> (211)
S2185

>  <Synonyms> (211)
N/A

>  <Target> (211)
EGFR

>  <Form> (211)
Mesylate

>  <URL> (211)
http://www.selleckchem.com/products/ast-1306.html

>  <CAS Number> (211)
1050500-29-2

>  <ALogP> (211)
7.381

>  <HBA_Count> (211)
4

>  <HBD_Count> (211)
2

>  <Num_RotatableBonds> (211)
8

>  <Name> (211)
AST-1306.cdx

$$$$
BMS265246.cdx
csChFnd80/03121814312D

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EGFR

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S6 Kinase

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501437-28-1

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EGFR

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Free Base

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Tyrphostin AG 17.cdx

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csChFnd80/03121814312D

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ZM 323881 HCl

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N/A

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VEGFR

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193000-39-4

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ZM323881 HCl.cdx

$$$$
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csChFnd80/03121814312D

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244

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VEGFR

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ZM306416.cdx

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JAK

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S-Ruxolitinib.cdx

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csChFnd80/03121814312D

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S8003

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N/A

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IGF-1R

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Free Base

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196868-63-0

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3.639

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>  <Mol_ID> (260)
260

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C10H6N2O2

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186.16684

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AG 18 (Tyrphostin 23)

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S8009

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RG-50810

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EGFR

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Free Base

>  <URL> (260)
http://www.selleckchem.com/products/ag-18-tyrphostin-23.html

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118409-57-7

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1.531

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0

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2

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1

>  <Name> (260)
AG 18.cdx

$$$$
OSI-906.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (261)
261

>  <Formula> (261)
C26H23N5O

>  <MolWeight> (261)
421.49372

>  <Item Name> (261)
OSI-906 (Linsitinib)

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S1091

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N/A

>  <Target> (261)
IGF-1R

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Free Base

>  <URL> (261)
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867160-71-2

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3.757

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OSI-906.cdx

$$$$
aicar.cdx
csChFnd80/03121814312D

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262

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C9H14N4O5

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S1802

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AICAR, AICA-riboside

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AMPK

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Free Base

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2627-69-2

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5

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3

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aicar.cdx

$$$$

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FLT3

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Free Base

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301305-73-7

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flt-3 inhibitor I(TCS 359).cdx

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/03121814312D

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269

>  <Formula> (269)
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S4001

>  <Synonyms> (269)
N/A

>  <Target> (269)
VEGFR

>  <Form> (269)
Malate

>  <URL> (269)
http://www.selleckchem.com/products/cabozantinib-malate.html

>  <CAS Number> (269)
1140909-48-3

>  <ALogP> (269)
3.331

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Cabozantinib£¨XL-184) malate.cdx

$$$$
PF-04708671.cdx
csChFnd80/03121814312D

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PF-04708671

>  <Target> (270)
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>  <URL> (270)
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1255517-76-0

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>  <Name> (270)
PF-04708671.cdx

$$$$
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csChFnd80/03121814312D

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N/A

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Syk

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https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

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c-Myc

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403811-55-2

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>  <Name> (282)
10058-F4.cdx

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CDK

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HCl

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JAK

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935666-88-9, 1260222-79-4 (TFA)

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MEK162 (ARRY-438162).cdx
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MEK

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606143-89-9

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Akt

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M  END
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301

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C16H10BrN3O2

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BIO

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S7198

>  <Synonyms> (301)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (301)
GSK-3

>  <Form> (301)
Free Base

>  <URL> (301)
http://www.selleckchem.com/products/bio.html

>  <CAS Number> (301)
667463-62-9

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2.692

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2

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2

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0

>  <Name> (301)
BIO (6-bromoindirubin-3-oxime).cdx

$$$$
AZD2858.cdx
csChFnd80/03121814312D

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302

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C21H23N7O3S

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AZD2858

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S7253

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N/A

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GSK-3

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Free Base

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486424-20-8

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6

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2

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AZD2858.cdx

$$$$
ZM39923 HCl.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (303)
303

>  <Formula> (303)
C23H26ClNO

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ZM 39923 HCl

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S8004

>  <Synonyms> (303)
N/A

>  <Target> (303)
JAK

>  <Form> (303)
HCl

>  <URL> (303)
http://www.selleckchem.com/products/zm-39923-hcl.html

>  <CAS Number> (303)
1021868-92-7

>  <ALogP> (303)
5.424

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1

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0

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>  <Name> (303)
ZM39923 HCl.cdx

$$$$
CZC24832.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (304)
304

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C15H17FN6O2S

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>  <Item Name> (304)
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>  <Catalog Number> (304)
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N/A

>  <Target> (304)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (304)
Free Base

>  <URL> (304)
http://www.selleckchem.com/products/czc24832.html

>  <CAS Number> (304)
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4

>  <Name> (304)
CZC24832.cdx

$$$$
ETP-46464.cdx
csChFnd80/03121814312D

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Others

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Free Base

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1374828-69-9

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GNE-0877.cdx

$$$$
PF-543 .cdx
csChFnd80/03121814312D

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N/A

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S1P Receptor

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Free Base

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1415562-82-1

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5.016

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PF-543 .cdx

$$$$
AZD1208.cdx
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Pim

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AZD1208.cdx

$$$$
CX-6258 HCl .cdx
csChFnd80/03121814312D

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332

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Pim

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>  <URL> (332)
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CX-6258 HCl .cdx

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Bcr-Abl

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Free Base

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http://www.selleckchem.com/products/pd173955.html

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260415-63-2

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PD173955 .cdx

$$$$
Zotarolimus.cdx
csChFnd80/03121814312D

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N/A

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mTOR

>  <Form> (341)
Free Base

>  <URL> (341)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

>  <CAS Number> (341)
221877-54-9

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5.793

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13

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1

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>  <Name> (341)
Zotarolimus.cdx

$$$$
WH-4-023.cdx
csChFnd80/03121814312D

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Src

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WH-4-023.cdx

$$$$
IM-12.cdx
csChFnd80/03121814312D

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GSK-3

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1129669-05-1

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IM-12.cdx

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/03121814312D

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EGFR

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BIBW2992 (Afatinib).cdx

$$$$
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csChFnd80/03121814312D

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JAK

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941678-49-5

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R-Ruxolitinib.cdx

$$$$
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csChFnd80/03121814312D

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M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C56H87NO16

>  <MolWeight> (346)
1030.28708

>  <Item Name> (346)
Temsirolimus (CCI-779, NSC 683864)

>  <Catalog Number> (346)
S1044

>  <Synonyms> (346)
N/A

>  <Target> (346)
mTOR

>  <Form> (346)
Free Base

>  <URL> (346)
http://www.selleckchem.com/products/Temsirolimus.html

>  <CAS Number> (346)
162635-04-3

>  <ALogP> (346)
6.039

>  <HBA_Count> (346)
12

>  <HBD_Count> (346)
3

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11

>  <Name> (346)
Temsirolimus.cdx

$$$$
GNE-9605.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C17H20ClF4N7O

>  <MolWeight> (347)
449.8336128

>  <Item Name> (347)
GNE-9605

>  <Catalog Number> (347)
S7368

>  <Synonyms> (347)
N/A

>  <Target> (347)
LRRK2

>  <Form> (347)
Free Base

>  <URL> (347)
http://www.selleckchem.com/products/gne-9605.html

>  <CAS Number> (347)
1536200-31-3

>  <ALogP> (347)
2.715

>  <HBA_Count> (347)
4

>  <HBD_Count> (347)
2

>  <Num_RotatableBonds> (347)
6

>  <Name> (347)
GNE-9605.cdx

$$$$
filgotinib.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C21H23N5O3S

>  <MolWeight> (348)
425.50402

>  <Item Name> (348)
Filgotinib£¨GLPG0643)

>  <Catalog Number> (348)
S7605

>  <Synonyms> (348)
N/A

>  <Target> (348)
JAK

>  <Form> (348)
Free Base

>  <URL> (348)
http://www.selleckchem.com/products/filgotinib.html

>  <CAS Number> (348)
1206161-97-8

>  <ALogP> (348)
2.461

>  <HBA_Count> (348)
5

>  <HBD_Count> (348)
1

>  <Num_RotatableBonds> (348)
5

>  <Name> (348)
filgotinib.cdx

$$$$
Anacardic Acid.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C22H36O3

>  <MolWeight> (349)
348.51944

>  <Item Name> (349)
Anacardic Acid

>  <Catalog Number> (349)
S7582

>  <Synonyms> (349)
6-pentadecylsalicylic Acid

>  <Target> (349)
Histone Acetyltransferase

>  <Form> (349)
Free Base

>  <URL> (349)
http://www.selleckchem.com/products/anacardic-acid.html

>  <CAS Number> (349)
16611-84-0

>  <ALogP> (349)
8.09

>  <HBA_Count> (349)
1

>  <HBD_Count> (349)
1

>  <Num_RotatableBonds> (349)
15

>  <Name> (349)
Anacardic Acid.cdx

$$$$
URMC-099.cdx
csChFnd80/03121814312D

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RN486.cdx

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M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C22H21N3O3S

>  <MolWeight> (367)
407.48544

>  <Item Name> (367)
ANA-12

>  <Catalog Number> (367)
S7745

>  <Synonyms> (367)
N/A

>  <Target> (367)
Trk receptor

>  <Form> (367)
Free Base

>  <URL> (367)
http://www.selleckchem.com/products/ana-12.html

>  <CAS Number> (367)
219766-25-3

>  <ALogP> (367)
3.088

>  <HBA_Count> (367)
3

>  <HBD_Count> (367)
3

>  <Num_RotatableBonds> (367)
4

>  <Name> (367)
ANA-12.cdx

$$$$
PF-2341066.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C21H22Cl2FN5O

>  <MolWeight> (368)
450.3366832

>  <Item Name> (368)
Crizotinib (PF-02341066)

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S1068

>  <Synonyms> (368)
N/A

>  <Target> (368)
c-Met, ALK

>  <Form> (368)
Free Base

>  <URL> (368)
http://www.selleckchem.com/products/PF-2341066.html

>  <CAS Number> (368)
877399-52-5, 877399-53-6 (acetate)

>  <ALogP> (368)
3.693

>  <HBA_Count> (368)
3

>  <HBD_Count> (368)
2

>  <Num_RotatableBonds> (368)
5

>  <Name> (368)
PF-2341066.cdx

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C24H30ClN7O2

>  <MolWeight> (369)
483.9937

>  <Item Name> (369)
PD 0332991 (Palbociclib) HCl

>  <Catalog Number> (369)
S1116

>  <Synonyms> (369)
N/A

>  <Target> (369)
CDK

>  <Form> (369)
Hydrochloride

>  <URL> (369)
http://www.selleckchem.com/products/PD-0332991.html

>  <CAS Number> (369)
827022-32-2, 571190-30-2 (free base)

>  <ALogP> (369)
3.183

>  <HBA_Count> (369)
5

>  <HBD_Count> (369)
2

>  <Num_RotatableBonds> (369)
5

>  <Name> (369)
PD-0332991 hydrochloride.cdx

$$$$
FRAX597.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C29H28ClN7OS

>  <MolWeight> (370)
558.09692

>  <Item Name> (370)
FRAX597

>  <Catalog Number> (370)
S7271

>  <Synonyms> (370)
N/A

>  <Target> (370)
PAK

>  <Form> (370)
Free Base

>  <URL> (370)
http://www.selleckchem.com/products/frax597.html

>  <CAS Number> (370)
1286739-19-2

>  <ALogP> (370)
5.166

>  <HBA_Count> (370)
4

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1

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6

>  <Name> (370)
FRAX597.cdx

$$$$
Ro-3306.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C18H13N3OS2

>  <MolWeight> (371)
351.44532

>  <Item Name> (371)
Ro-3306

>  <Catalog Number> (371)
S7747

>  <Synonyms> (371)
N/A

>  <Target> (371)
CDK

>  <Form> (371)
Free Base

>  <URL> (371)
http://www.selleckchem.com/products/ro-3306.html

>  <CAS Number> (371)
872573-93-8

>  <ALogP> (371)
3.712

>  <HBA_Count> (371)
3

>  <HBD_Count> (371)
1

>  <Num_RotatableBonds> (371)
4

>  <Name> (371)
Ro-3306.cdx

$$$$
LDN-214117.cdx
csChFnd80/03121814312D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C25H29N3O3

>  <MolWeight> (372)
419.51606

>  <Item Name> (372)
LDN-214117

>  <Catalog Number> (372)
S7627

>  <Synonyms> (372)
N/A

>  <Target> (372)
TGF-beta/Smad

>  <Form> (372)
Free Base

>  <URL> (372)
http://www.selleckchem.com/products/ldn-214117.html

>  <CAS Number> (372)
1627503-67-6

>  <ALogP> (372)
3.533

>  <HBA_Count> (372)
4

>  <HBD_Count> (372)
1

>  <Num_RotatableBonds> (372)
6

>  <Name> (372)
LDN-214117.cdx

$$$$
Purvalanol A.cdx
csChFnd80/03121814312D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C19H25ClN6O

>  <MolWeight> (373)
388.8944

>  <Item Name> (373)
Purvalanol A

>  <Catalog Number> (373)
S7793

>  <Synonyms> (373)
N/A

>  <Target> (373)
CDK

>  <Form> (373)
Free Base

>  <URL> (373)
http://www.selleckchem.com/products/purvalanol-a.html

>  <CAS Number> (373)
212844-53-6

>  <ALogP> (373)
4.462

>  <HBA_Count> (373)
3

>  <HBD_Count> (373)
3

>  <Num_RotatableBonds> (373)
7

>  <Name> (373)
Purvalanol A.cdx

$$$$
AZD2932.cdx
csChFnd80/03121814312D

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>  <Target> (378)
AMPK

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Free Base

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1613724-42-7

>  <ALogP> (378)
2.993

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4

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2

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HTH-01-015.cdx

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/03121814312D

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379

>  <Formula> (379)
C21H21F3IN3O2

>  <MolWeight> (379)
531.3100196

>  <Item Name> (379)
Cobimetinib (GDC-0973, RG7420)

>  <Catalog Number> (379)
S8041

>  <Synonyms> (379)
XL518

>  <Target> (379)
MEK

>  <Form> (379)
Free Base

>  <URL> (379)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

>  <CAS Number> (379)
934660-93-2

>  <ALogP> (379)
3.701

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1

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2

>  <Num_RotatableBonds> (379)
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GDC-0973(XL518,RG7420.cdx

$$$$
BVD-523.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (380)
380

>  <Formula> (380)
C21H22Cl2N4O2

>  <MolWeight> (380)
433.33098

>  <Item Name> (380)
Ulixertinib (BVD-523, VRT752271)

>  <Catalog Number> (380)
S7854

>  <Synonyms> (380)
N/A

>  <Target> (380)
ERK

>  <Form> (380)
Free Base

>  <URL> (380)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

>  <CAS Number> (380)
869886-67-9

>  <ALogP> (380)
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4

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BVD-523.cdx

$$$$
KN-93 H3PO4.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (381)
381

>  <Formula> (381)
C26H32ClN2O8PS

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>  <Item Name> (381)
KN-93 Phosphate

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>  <Target> (381)
CaMK

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Free Base

>  <URL> (381)
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KN-93 H3PO4.cdx

$$$$
ONO-4059.cdx
csChFnd80/03121814312D

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CDK

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flavopiridol.cdx

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Tideglusib.cdx
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C24H22O6

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Palomid 529

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S2238

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P529

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mTOR

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Free Base

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914913-88-5

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P529.cdx

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csChFnd80/03121814312D

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C9H6O4

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Daphnetin

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S2554

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N/A

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DNA/RNA Synthesis

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Free Base

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486-35-1

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Daphnetin.cdx

$$$$
CAY10505.cdx
csChFnd80/03121814312D

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402

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C14H8FNO3S

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CAY10505

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PI3K

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Free Base

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1218777-13-9

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CAY10505.cdx

$$$$
Chloroquine phosphate.cdx
csChFnd80/03121814312D

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403

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C18H32ClN3O8P2

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Chloroquine Phosphate

>  <Catalog Number> (403)
S4157

>  <Synonyms> (403)
N/A

>  <Target> (403)
Others

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Diphosphate

>  <URL> (403)
http://www.selleckchem.com/products/chloroquine-phosphate.html

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50-63-5

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Chloroquine phosphate.cdx

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/03121814312D

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>  <Mol_ID> (404)
404

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C24H27Cl2N5O

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>  <Item Name> (404)
Dorsomorphin (Compound C) 2HCl

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S7306

>  <Synonyms> (404)
BML-275,Compound C

>  <Target> (404)
AMPK

>  <Form> (404)
Dihydrochloride

>  <URL> (404)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

>  <CAS Number> (404)
1219168-18-9

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3.792

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>  <Name> (404)
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx

$$$$
ASP3026   structure.cdx
csChFnd80/03121814312D

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EGFR

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S6 Kinase

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mTOR

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csChFnd80/03121814312D

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GSK2141795.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (413)
413

>  <Formula> (413)
C18H16Cl2F2N4O2

>  <MolWeight> (413)
429.2480464

>  <Item Name> (413)
Uprosertib (GSK2141795)

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S7492

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GSK795

>  <Target> (413)
Akt

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/gsk2141795.html

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1047634-65-0

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3.531

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3

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2

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6

>  <Name> (413)
GSK2141795.cdx

$$$$
VPS34-IN1.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (414)
414

>  <Formula> (414)
C21H24ClN7O

>  <MolWeight> (414)
425.91456

>  <Item Name> (414)
VPS34-IN1

>  <Catalog Number> (414)
S7980

>  <Synonyms> (414)
Vps34-IN-1

>  <Target> (414)
PI3K

>  <Form> (414)
Free Base

>  <URL> (414)
http://www.selleckchem.com/products/vps34-in1.html

>  <CAS Number> (414)
1383716-33-3

>  <ALogP> (414)
3.672

>  <HBA_Count> (414)
5

>  <HBD_Count> (414)
2

>  <Num_RotatableBonds> (414)
8

>  <Name> (414)
VPS34-IN1.cdx

$$$$
Oclacitinib maleate.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (415)
415

>  <Formula> (415)
C19H27N5O6S

>  <MolWeight> (415)
453.51258

>  <Item Name> (415)
Oclacitinib maleate

>  <Catalog Number> (415)
S8195

>  <Synonyms> (415)
PF-03394197

>  <Target> (415)
JAK

>  <Form> (415)
maleate

>  <URL> (415)
http://www.selleckchem.com/products/oclacitinib-maleate.html

>  <CAS Number> (415)
1640292-55-2

>  <ALogP> (415)
1.758

>  <HBA_Count> (415)
6

>  <HBD_Count> (415)
2

>  <Num_RotatableBonds> (415)
7

>  <Name> (415)
Oclacitinib maleate.cdx

$$$$
MLN2480.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (416)
416

>  <Formula> (416)
C17H12Cl2F3N7O2S

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MLN2480

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BIIB-024

>  <Target> (416)
Raf

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Free Base

>  <URL> (416)
http://www.selleckchem.com/products/mln2480.html

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1096708-71-2

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>  <Name> (416)
MLN2480.cdx

$$$$
BMS-582949.cdx
csChFnd80/03121814312D

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csChFnd80/03121814312D

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M  END
>  <Mol_ID> (427)
427

>  <Formula> (427)
C15H10O4

>  <MolWeight> (427)
254.2375

>  <Item Name> (427)
7,8-Dihydroxyflavone

>  <Catalog Number> (427)
S8319

>  <Synonyms> (427)
7,8-DHF

>  <Target> (427)
Trk receptor

>  <Form> (427)
Free Base

>  <URL> (427)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

>  <CAS Number> (427)
38183-03-8

>  <ALogP> (427)
2.652

>  <HBA_Count> (427)
2

>  <HBD_Count> (427)
2

>  <Num_RotatableBonds> (427)
1

>  <Name> (427)
7,8-Dihydroxyflavone.cdx

$$$$
LY3023414.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (428)
428

>  <Formula> (428)
C23H26N4O3

>  <MolWeight> (428)
406.47754

>  <Item Name> (428)
LY3023414

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S8322

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GTPL8918

>  <Target> (428)
Akt

>  <Form> (428)
Free Base

>  <URL> (428)
http://www.selleckchem.com/products/ly3023414.html

>  <CAS Number> (428)
1386874-06-1

>  <ALogP> (428)
1.883

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4

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0

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5

>  <Name> (428)
LY3023414.cdx

$$$$
untitled.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C53H84NO14P

>  <MolWeight> (429)
990.206121

>  <Item Name> (429)
Deforolimus (MK-8669) 

>  <Catalog Number> (429)
S1022

>  <Synonyms> (429)
AP23573, MK-8669

>  <Target> (429)
mTOR

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/Deforolimus.html

>  <CAS Number> (429)
572924-54-0

>  <ALogP> (429)
6.303

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12

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1

>  <Num_RotatableBonds> (429)
8

$$$$
untitled.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C22H24BrFN4O2

>  <MolWeight> (430)
475.3539632

>  <Item Name> (430)
Vandetanib (ZD6474)

>  <Catalog Number> (430)
S1046

>  <Synonyms> (430)
ZD6474

>  <Target> (430)
VEGFR

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/Vandetanib.html

>  <CAS Number> (430)
443913-73-3

>  <ALogP> (430)
5.087

>  <HBA_Count> (430)
4

>  <HBD_Count> (430)
1

>  <Num_RotatableBonds> (430)
6

$$$$
SGX-523 .cdx
csChFnd80/03121814312D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 25 21  2  0  0  0  0
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M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C18H13N7S

>  <MolWeight> (431)
359.40772

>  <Item Name> (431)
SGX-523

>  <Catalog Number> (431)
S1112

>  <Synonyms> (431)
N/A

>  <Target> (431)
c-Met

>  <Form> (431)
Free Base

>  <URL> (431)
http://www.selleckchem.com/products/SGX-523.html

>  <CAS Number> (431)
1022150-57-7

>  <ALogP> (431)
3.58

>  <HBA_Count> (431)
5

>  <HBD_Count> (431)
0

>  <Num_RotatableBonds> (431)
3

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/03121814312D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C16H15BrClN5O4S

>  <MolWeight> (432)
488.7434

>  <Item Name> (432)
PIK-75

>  <Catalog Number> (432)
S1205

>  <Synonyms> (432)
N/A

>  <Target> (432)
PI3K, DNA-PK

>  <Form> (432)
Hydrochloride

>  <URL> (432)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

>  <CAS Number> (432)
372196-77-5

>  <ALogP> (432)
3.272

>  <HBA_Count> (432)
4

>  <HBD_Count> (432)
0

>  <Num_RotatableBonds> (432)
5

$$$$
Baricitinib.cdx
csChFnd80/03121814312D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C16H17N7O2S

>  <MolWeight> (433)
371.41688

>  <Item Name> (433)
Baricitinib (LY3009104)

>  <Catalog Number> (433)
S2851

>  <Synonyms> (433)
INCB 28050

>  <Target> (433)
JAK

>  <Form> (433)
Free Base

>  <URL> (433)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (433)
1187594-09-7

>  <ALogP> (433)
0.36

>  <HBA_Count> (433)
5

>  <HBD_Count> (433)
1

>  <Num_RotatableBonds> (433)
5

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/03121814312D

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    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C22H18O11

>  <MolWeight> (434)
458.37172

>  <Item Name> (434)
(-)-Epigallocatechin gallate

>  <Catalog Number> (434)
S2250

>  <Synonyms> (434)
EGCG

>  <Target> (434)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (434)
Free Base

>  <URL> (434)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (434)
989-51-5

>  <ALogP> (434)
3.097

>  <HBA_Count> (434)
3

>  <HBD_Count> (434)
8

>  <Num_RotatableBonds> (434)
4

$$$$
Myricetin.cdx
csChFnd80/03121814312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (435)
435

>  <Formula> (435)
C15H10O8

>  <MolWeight> (435)
318.2351

>  <Item Name> (435)
Myricetin (Cannabiscetin)

>  <Catalog Number> (435)
S2326

>  <Synonyms> (435)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (435)
NULL

>  <Form> (435)
Free Base

>  <URL> (435)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

>  <CAS Number> (435)
529-44-2

>  <ALogP> (435)
1.388

>  <HBA_Count> (435)
2

>  <HBD_Count> (435)
6

>  <Num_RotatableBonds> (435)
1

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/03121814312D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  7  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (436)
559

>  <Formula> (436)
C21H25N7O

>  <MolWeight> (436)
391.4695

>  <Item Name> (436)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Catalog Number> (436)
S8456

>  <Synonyms> (436)
N/A

>  <Target> (436)
PI3K

>  <Form> (436)
Free Base

>  <URL> (436)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

>  <CAS Number> (436)
1383716-46-8

>  <ALogP> (436)
2.798

>  <HBA_Count> (436)
5

>  <HBD_Count> (436)
2

>  <Num_RotatableBonds> (436)
8

$$$$
OTS514.cdx
csChFnd80/03121814312D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8497    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    7.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3306    2.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1843    0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4632    0.1720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4508    1.4747    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 13  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 21 26  2  0  0  0  0
M  END
>  <Mol_ID> (437)
560

>  <Formula> (437)
C21H21ClN2O2S

>  <MolWeight> (437)
400.92164

>  <Item Name> (437)
OTS514 hydrochloride

>  <Catalog Number> (437)
S7652

>  <Synonyms> (437)
N/A

>  <Target> (437)
TOPK

>  <Form> (437)
hydrochloride

>  <URL> (437)
http://www.selleckchem.com/products/ots514.html

>  <CAS Number> (437)
1338540-63-8(free base)

>  <ALogP> (437)
4.147

>  <HBA_Count> (437)
1

>  <HBD_Count> (437)
3

>  <Num_RotatableBonds> (437)
3

$$$$
SAR-020106.cdx
csChFnd80/03121814312D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  2 25  1  0  0  0  0
 14 26  1  0  0  0  0
 25 27  3  0  0  0  0
M  END
>  <Mol_ID> (438)
561

>  <Formula> (438)
C19H19ClN6O

>  <MolWeight> (438)
382.84676

>  <Item Name> (438)
SAR-020106

>  <Catalog Number> (438)
S7740

>  <Synonyms> (438)
N/A

>  <Target> (438)
Chk

>  <Form> (438)
Free Base

>  <URL> (438)
http://www.selleckchem.com/products/sar-020106.html

>  <CAS Number> (438)
1184843-57-9

>  <ALogP> (438)
3.925

>  <HBA_Count> (438)
4

>  <HBD_Count> (438)
1

>  <Num_RotatableBonds> (438)
6

$$$$
S8275-eFT-508.cdx
csChFnd80/03121814312D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Num_RotatableBonds> (442)
6

$$$$
BAY 1217389.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (443)
566

>  <Formula> (443)
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>  <Item Name> (443)
BAY 1217389

>  <Catalog Number> (443)
S8215

>  <Synonyms> (443)
N/A

>  <Target> (443)
Kinesin

>  <Form> (443)
Free Base

>  <URL> (443)
http://www.selleckchem.com/products/bay-1217389.html

>  <CAS Number> (443)
1554458-53-5

>  <ALogP> (443)
5.255

>  <HBA_Count> (443)
5

>  <HBD_Count> (443)
2

>  <Num_RotatableBonds> (443)
10

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/03121814312D

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567

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C30H42N8O3

>  <MolWeight> (444)
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>  <Item Name> (444)
ASP8273 (Naquotinib)

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S8412

>  <Synonyms> (444)
N/A

>  <Target> (444)
EGFR

>  <Form> (444)
Free Base

>  <URL> (444)
http://www.selleckchem.com/products/naquotinib-asp8273.html

>  <CAS Number> (444)
1448232-80-1

>  <ALogP> (444)
2.756

>  <HBA_Count> (444)
5

>  <HBD_Count> (444)
2

>  <Num_RotatableBonds> (444)
9

$$$$
LDC4297 (LDC044297).cdx
csChFnd80/03121814312D

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>  <Mol_ID> (445)
568

>  <Formula> (445)
C23H28N8O

>  <MolWeight> (445)
432.52142

>  <Item Name> (445)
LDC4297 (LDC044297)

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>  <Synonyms> (445)
N/A

>  <Target> (445)
CDK

>  <Form> (445)
Free Base

>  <URL> (445)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

>  <CAS Number> (445)
1453834-21-3

>  <ALogP> (445)
3.928

>  <HBA_Count> (445)
5

>  <HBD_Count> (445)
2

>  <Num_RotatableBonds> (445)
7

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (446)
569

>  <Formula> (446)
C25H23ClN6O3

>  <MolWeight> (446)
490.94152

>  <Item Name> (446)
ONO-4059 (GS-4059) hydrochloride

>  <Catalog Number> (446)
S8166

>  <Synonyms> (446)
N/A

>  <Target> (446)
BTK

>  <Form> (446)
hydrochloride

>  <URL> (446)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

>  <CAS Number> (446)
1439901-97-9

>  <ALogP> (446)
3.706

>  <HBA_Count> (446)
5

>  <HBD_Count> (446)
1

>  <Num_RotatableBonds> (446)
5

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/03121814312D

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A   23
xH2O
M  END
>  <Mol_ID> (447)
570

>  <Formula> (447)
C14H18ClN3O3RS

>  <MolWeight> (447)
343.82902

>  <Item Name> (447)
Hydroxyfasudil (HA-1100)HCl

>  <Catalog Number> (447)
S8208

>  <Synonyms> (447)
N/A

>  <Target> (447)
ROCK

>  <Form> (447)
hydrochloride

>  <URL> (447)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

>  <CAS Number> (447)
155558-32-0 (HCl salt)

>  <ALogP> (447)
0.443

>  <HBA_Count> (447)
3

>  <HBD_Count> (447)
2

>  <Num_RotatableBonds> (447)
2

$$$$
NCB-0846.cdx
csChFnd80/03121814312D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (448)
571

>  <Formula> (448)
C21H21N5O2

>  <MolWeight> (448)
375.42374

>  <Item Name> (448)
NCB-0846

>  <Catalog Number> (448)
S8392

>  <Synonyms> (448)
N/A

>  <Target> (448)
Wnt/beta-catenin

>  <Form> (448)
Free Base

>  <URL> (448)
http://www.selleckchem.com/products/ncb-0846.html

>  <CAS Number> (448)
1792999-26-8

>  <ALogP> (448)
3.579

>  <HBA_Count> (448)
4

>  <HBD_Count> (448)
3

>  <Num_RotatableBonds> (448)
4

$$$$
TGR-1202.cdx
csChFnd80/03121814312D

 42 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (449)
572

>  <Formula> (449)
C31H24F3N5O3

>  <MolWeight> (449)
571.5491696

>  <Item Name> (449)
TGR-1202

>  <Catalog Number> (449)
S8194

>  <Synonyms> (449)
Rp-5264

>  <Target> (449)
PI3K

>  <Form> (449)
Free Base

>  <URL> (449)
http://www.selleckchem.com/products/tgr-1202.html

>  <CAS Number> (449)
1532533-67-7

>  <ALogP> (449)
6.393

>  <HBA_Count> (449)
6

>  <HBD_Count> (449)
1

>  <Num_RotatableBonds> (449)
6

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/03121814312D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (450)
573

>  <Formula> (450)
C26H31ClN6O2

>  <MolWeight> (450)
495.01634

>  <Item Name> (450)
Nazartinib (EGF816, NVS-816)

>  <Catalog Number> (450)
S7824

>  <Synonyms> (450)
N/A

>  <Target> (450)
EGFR

>  <Form> (450)
Free Base

>  <URL> (450)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

>  <CAS Number> (450)
1508250-71-2

>  <ALogP> (450)
3.705

>  <HBA_Count> (450)
4

>  <HBD_Count> (450)
1

>  <Num_RotatableBonds> (450)
6

$$$$
OTS964.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (451)
574

>  <Formula> (451)
C23H26Cl2N2O2S

>  <MolWeight> (451)
465.43574

>  <Item Name> (451)
OTS964

>  <Catalog Number> (451)
S7648

>  <Synonyms> (451)
N/A

>  <Target> (451)
Others

>  <Form> (451)
dihydrochloride

>  <URL> (451)
http://www.selleckchem.com/products/ots964.html

>  <CAS Number> (451)
1338545-07-5(HCl salt)

>  <ALogP> (451)
5.497

>  <HBA_Count> (451)
1

>  <HBD_Count> (451)
2

>  <Num_RotatableBonds> (451)
4

$$$$
CC-930.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (452)
575

>  <Formula> (452)
C21H24ClF3N6O2

>  <MolWeight> (452)
484.9024696

>  <Item Name> (452)
Tanzisertib(CC-930)

>  <Catalog Number> (452)
S8490

>  <Synonyms> (452)
JNK-930|JNKI-1

>  <Target> (452)
JNK

>  <Form> (452)
hydrochloride

>  <URL> (452)
http://www.selleckchem.com/products/cc-930.html

>  <CAS Number> (452)
899805-25-5 (free base)

>  <ALogP> (452)
3.791

>  <HBA_Count> (452)
4

>  <HBD_Count> (452)
3

>  <Num_RotatableBonds> (452)
5

$$$$
PD-166866.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (453)
576

>  <Formula> (453)
C20H24N6O3

>  <MolWeight> (453)
396.44296

>  <Item Name> (453)
PD-166866

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S8493

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FGFR

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FGFR

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>  <URL> (454)
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1707289-21-1

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ROCK

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PLK

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Free Base

>  <URL> (457)
http://www.selleckchem.com/products/cfi-400945.html

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1338806-73-7

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6

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SAR405

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N/A

>  <Target> (458)
Vps34

>  <Form> (458)
free base

>  <URL> (458)
http://www.selleckchem.com/products/sar405.html

>  <CAS Number> (458)
1523406-39-4

>  <ALogP> (458)
2.488

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4

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4

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csChFnd80/03121814312D

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CRT0066101

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N/A

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PKD1,PKD3,PKD2

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dihydrochloride

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http://www.selleckchem.com/products/crt0066101.html

>  <CAS Number> (459)
1883545-60-5

>  <ALogP> (459)
2.781

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3

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3

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6

$$$$
LTURM34.cdx
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DNA-PK

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free base

>  <URL> (460)
http://www.selleckchem.com/products/lturm34.html

>  <CAS Number> (460)
1879887-96-3

>  <ALogP> (460)
4.946

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4

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0

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2

$$$$
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584

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>  <MolWeight> (461)
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>  <Item Name> (461)
AD80

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>  <Synonyms> (461)
N/A

>  <Target> (461)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET w

>  <Form> (461)
free base

>  <URL> (461)
http://www.selleckchem.com/products/ad80.html

>  <CAS Number> (461)
1384071-99-1

>  <ALogP> (461)
4.406

>  <HBA_Count> (461)
4

>  <HBD_Count> (461)
3

>  <Num_RotatableBonds> (461)
5

$$$$
RXDX-106 (CEP-40783).cdx
csChFnd80/03121814312D

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M  END
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585

>  <Formula> (462)
C31H26F2N4O6

>  <MolWeight> (462)
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>  <Item Name> (462)
RXDX-106 (CEP-40783)

>  <Catalog Number> (462)
S8570

>  <Synonyms> (462)
N/A

>  <Target> (462)
Axl,c-Met,Tyro3,MER,Tyro3,VEGFR2

>  <Form> (462)
free base

>  <URL> (462)
http://www.selleckchem.com/products/rxdx-106-cep-40783.html

>  <CAS Number> (462)
1437321-24-8

>  <ALogP> (462)
4.572

>  <HBA_Count> (462)
7

>  <HBD_Count> (462)
1

>  <Num_RotatableBonds> (462)
8

$$$$
GDC-0326.cdx
csChFnd80/03121814312D

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586

>  <Formula> (463)
C19H22N6O3

>  <MolWeight> (463)
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>  <Item Name> (463)
GDC-0326

>  <Catalog Number> (463)
S8157

>  <Synonyms> (463)
N/A

>  <Target> (463)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (463)
free base

>  <URL> (463)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

>  <CAS Number> (463)
1282514-88-8

>  <ALogP> (463)
2.017

>  <HBA_Count> (463)
6

>  <HBD_Count> (463)
1

>  <Num_RotatableBonds> (463)
5

$$$$
Senexin A.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (464)
587

>  <Formula> (464)
C17H14N4

>  <MolWeight> (464)
274.31986

>  <Item Name> (464)
Senexin A

>  <Catalog Number> (464)
S8520

>  <Synonyms> (464)
N/A

>  <Target> (464)
CDK19,CDK8

>  <Form> (464)
free base

>  <URL> (464)
http://www.selleckchem.com/products/senexin-a.html

>  <CAS Number> (464)
1366002-50-7

>  <ALogP> (464)
3.519

>  <HBA_Count> (464)
2

>  <HBD_Count> (464)
1

>  <Num_RotatableBonds> (464)
4

$$$$
MSC2530818.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (465)
588

>  <Formula> (465)
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>  <MolWeight> (465)
340.80678

>  <Item Name> (465)
MSC2530818

>  <Catalog Number> (465)
S8387

>  <Synonyms> (465)
N/A

>  <Target> (465)
CDK8

>  <Form> (465)
free base

>  <URL> (465)
http://www.selleckchem.com/products/msc2530818.html

>  <CAS Number> (465)
1883423-59-3

>  <ALogP> (465)
2.956

>  <HBA_Count> (465)
3

>  <HBD_Count> (465)
1

>  <Num_RotatableBonds> (465)
2

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/03121814312D

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>  <Mol_ID> (466)
589

>  <Formula> (466)
C33H29F2N5O4S

>  <MolWeight> (466)
629.6762664

>  <Item Name> (466)
Sitravatinib (MGCD516)

>  <Catalog Number> (466)
S8573

>  <Synonyms> (466)
MG-516

>  <Target> (466)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (466)
free base

>  <URL> (466)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

>  <CAS Number> (466)
1123837-84-2

>  <ALogP> (466)
5.029

>  <HBA_Count> (466)
6

>  <HBD_Count> (466)
3

>  <Num_RotatableBonds> (466)
12

$$$$
TPX-0005.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (467)
590

>  <Formula> (467)
C18H18FN5O2

>  <MolWeight> (467)
355.3662232

>  <Item Name> (467)
TPX-0005

>  <Catalog Number> (467)
S8583

>  <Synonyms> (467)
N/A

>  <Target> (467)
ALK,ALK(L1196M),ALK(G1202R),Src

>  <Form> (467)
free base

>  <URL> (467)
http://www.selleckchem.com/products/tpx-0005.html

>  <CAS Number> (467)
no

>  <ALogP> (467)
2.005

>  <HBA_Count> (467)
4

>  <HBD_Count> (467)
2

>  <Num_RotatableBonds> (467)
0

$$$$
GSK2982772.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (468)
591

>  <Formula> (468)
C20H19N5O3

>  <MolWeight> (468)
377.39656

>  <Item Name> (468)
GSK2982772

>  <Catalog Number> (468)
S8484

>  <Synonyms> (468)
N/A

>  <Target> (468)
human RIP1

>  <Form> (468)
free base

>  <URL> (468)
http://www.selleckchem.com/products/gsk2982772.html

>  <CAS Number> (468)
1622848-92-3

>  <ALogP> (468)
1.639

>  <HBA_Count> (468)
5

>  <HBD_Count> (468)
2

>  <Num_RotatableBonds> (468)
4

$$$$
Amcasertib (BBI503).cdx
csChFnd80/03121814312D

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Amcasertib (BBI503)

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S8572

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N/A

>  <Target> (469)
Nanog

>  <Form> (469)
free base

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http://www.selleckchem.com/products/amcasertib-bbi503.html

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1129403-56-0

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3

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3

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593

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C19H17NO5S

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>  <Target> (470)
DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

>  <Form> (470)
free base

>  <URL> (470)
http://www.selleckchem.com/products/sf2523.html

>  <CAS Number> (470)
1174428-47-7

>  <ALogP> (470)
3.081

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5

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2

$$$$
IPI-549.cdx
csChFnd80/03121814312D

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PI3K¦Ã

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http://www.selleckchem.com/products/ipi-549.html

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1693758-51-8

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5

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6

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PF-06273340.cdx
csChFnd80/03121814312D

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>  <Target> (472)
TrkC,TrkB,TrkA

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$$$$
GSK'872 (GSK2399872A).cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (473)
596

>  <Formula> (473)
C19H17N3O2S2

>  <MolWeight> (473)
383.48718

>  <Item Name> (473)
GSK'872 (GSK2399872A)

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S8465

>  <Synonyms> (473)
N/A

>  <Target> (473)
RIP3K

>  <Form> (473)
Free base

>  <URL> (473)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

>  <CAS Number> (473)
1346546-69-7

>  <ALogP> (473)
3.902

>  <HBA_Count> (473)
4

>  <HBD_Count> (473)
1

>  <Num_RotatableBonds> (473)
4

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (474)
597

>  <Formula> (474)
C19H17N5O3

>  <MolWeight> (474)
363.36998

>  <Item Name> (474)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Catalog Number> (474)
S8581

>  <Synonyms> (474)
N/A

>  <Target> (474)
PI3K¦Á

>  <Form> (474)
Free base

>  <URL> (474)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

>  <CAS Number> (474)
1268454-23-4

>  <ALogP> (474)
0.939

>  <HBA_Count> (474)
5

>  <HBD_Count> (474)
1

>  <Num_RotatableBonds> (474)
2

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (475)
598

>  <Formula> (475)
C33H44FN5O3

>  <MolWeight> (475)
577.7325632

>  <Item Name> (475)
Belizatinib (TSR-011)

>  <Catalog Number> (475)
S8511

>  <Synonyms> (475)
N/A

>  <Target> (475)
ALK,TRK

>  <Form> (475)
free base

>  <URL> (475)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

>  <CAS Number> (475)
1357920-84-3

>  <ALogP> (475)
4.827

>  <HBA_Count> (475)
3

>  <HBD_Count> (475)
2

>  <Num_RotatableBonds> (475)
7

$$$$
Autophinib.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (476)
599

>  <Formula> (476)
C14H11ClN6O3

>  <MolWeight> (476)
346.72854

>  <Item Name> (476)
Autophinib

>  <Catalog Number> (476)
S8596

>  <Synonyms> (476)
N/A

>  <Target> (476)
autophagy

>  <Form> (476)
free base

>  <URL> (476)
http://www.selleckchem.com/products/autophinib.html

>  <CAS Number> (476)
1644443-47-9

>  <ALogP> (476)
4.118

>  <HBA_Count> (476)
4

>  <HBD_Count> (476)
2

>  <Num_RotatableBonds> (476)
5

$$$$
BGB-283.cdx
csChFnd80/03121814312D

 35 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (477)
600

>  <Formula> (477)
C25H17F3N4O3

>  <MolWeight> (477)
478.4226896

>  <Item Name> (477)
Lifirafenib (BGB-283)

>  <Catalog Number> (477)
S7926

>  <Synonyms> (477)
Beigene-283

>  <Target> (477)
RAF,EGFR

>  <Form> (477)
free base

>  <URL> (477)
http://www.selleckchem.com/products/bgb-283-bgb283.html

>  <CAS Number> (477)
1446090-79-4

>  <ALogP> (477)
4.292

>  <HBA_Count> (477)
5

>  <HBD_Count> (477)
2

>  <Num_RotatableBonds> (477)
4

$$$$
PRN1371.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (478)
601

>  <Formula> (478)
C26H30Cl2N6O4

>  <MolWeight> (478)
561.4602

>  <Item Name> (478)
PRN1371

>  <Catalog Number> (478)
S8578

>  <Synonyms> (478)
N/A

>  <Target> (478)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (478)
free base

>  <URL> (478)
http://www.selleckchem.com/products/prn1371.html

>  <CAS Number> (478)
1802929-43-6

>  <ALogP> (478)
3.438

>  <HBA_Count> (478)
6

>  <HBD_Count> (478)
1

>  <Num_RotatableBonds> (478)
9

$$$$
Ensartinib (X-396).cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (479)
602

>  <Formula> (479)
C26H27Cl2FN6O3

>  <MolWeight> (479)
561.4353832

>  <Item Name> (479)
Ensartinib (X-396)

>  <Catalog Number> (479)
S8230

>  <Synonyms> (479)
N/A

>  <Target> (479)
Met,ALK

>  <Form> (479)
free base

>  <URL> (479)
http://www.selleckchem.com/products/ensartinib-x-396.html

>  <CAS Number> (479)
1370651-20-9

>  <ALogP> (479)
4.287

>  <HBA_Count> (479)
5

>  <HBD_Count> (479)
3

>  <Num_RotatableBonds> (479)
6

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/03121814312D

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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
 32 35  1  0  0  0  0
 13 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 13  1  0  0  0  0
M  END
>  <Mol_ID> (480)
603

>  <Formula> (480)
C29H44N8O3

>  <MolWeight> (480)
552.71146

>  <Item Name> (480)
Gilteritinib (ASP2215)

>  <Catalog Number> (480)
S7754

>  <Synonyms> (480)
N/A

>  <Target> (480)
FLT3,Axl

>  <Form> (480)
free base

>  <URL> (480)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

>  <CAS Number> (480)
1254053-43-4

>  <ALogP> (480)
2.401

>  <HBA_Count> (480)
5

>  <HBD_Count> (480)
3

>  <Num_RotatableBonds> (480)
9

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/03121814312D

 47 51  0  0  0  0  0  0  0  0999 V2000
    9.7222   26.6837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   26.6837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.6373    9.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8415    8.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6294   10.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4699    8.7814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.0311    9.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8481    6.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8583   11.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4266   11.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4958    7.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2783    9.4327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.0807   10.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2042    8.5883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0228    5.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2227   10.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3034    6.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0655    8.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3278   11.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0306    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108    6.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5061    5.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0244    7.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2557    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4084    5.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3767    4.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9083    6.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4464    4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3419    2.0782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.0892    4.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6888    3.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3637    1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5598    1.3986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2490    1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9804    4.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6966    2.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9950    1.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6313    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1428    2.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7161    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5215    2.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0934    0.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4170    9.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5406   10.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.2029    7.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4157    8.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  1  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
 25 28  1  0  0  0  0
 26 30  2  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  1  0  0  0
 29 33  1  0  0  0  0
 30 35  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
 33 36  1  0  0  0  0
 34 39  2  0  0  0  0
 34 40  1  0  0  0  0
 37 41  2  0  0  0  0
 37 42  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  2  0  0  0  0
 14 43  1  0  0  0  0
 19 44  1  0  0  0  0
 26 45  1  0  0  0  0
 45 34  1  0  0  0  0
 21 46  1  0  0  0  0
 46 47  1  0  0  0  0
M  END
>  <Mol_ID> (481)
604

>  <Formula> (481)
C37H42Cl2N2O6

>  <MolWeight> (481)
681.64518

>  <Item Name> (481)
Berbamine (dihydrochloride)

>  <Catalog Number> (481)
S3609

>  <Synonyms> (481)
N/A

>  <Target> (481)
NF-¦ÊB,bcr/abl

>  <Form> (481)
dihydrochloride

>  <URL> (481)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

>  <CAS Number> (481)
6078-17-7

>  <ALogP> (481)
7.756

>  <HBA_Count> (481)
5

>  <HBD_Count> (481)
1

>  <Num_RotatableBonds> (481)
3

$$$$
S3648 Amlexanox.cdx
csChFnd80/03121814312D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2876    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2876    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0814    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    4.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7423    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9518    0.0044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1578    2.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    4.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    4.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (482)
605

>  <Formula> (482)
C16H14N2O4

>  <MolWeight> (482)
298.29336

>  <Item Name> (482)
Amlexanox

>  <Catalog Number> (482)
S3648

>  <Synonyms> (482)
AA-673, CHX-3673

>  <Target> (482)
TBK1,IKK-¦Å

>  <Form> (482)
free base

>  <URL> (482)
http://www.selleckchem.com/products/amlexanox.html

>  <CAS Number> (482)
68302-57-8

>  <ALogP> (482)
2.969

>  <HBA_Count> (482)
4

>  <HBD_Count> (482)
1

>  <Num_RotatableBonds> (482)
2

$$$$
Imatinib.cdx
csChFnd80/03121814312D

 37 41  0  0  0  0  0  0  0  0999 V2000
    4.8371   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 14  7  1  0  0  0  0
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 19  9  1  0  0  0  0
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 16 21  1  0  0  0  0
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436

>  <Formula> (483)
C29H31N7O

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493.60274

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Imatinib (STI571)

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S2475

>  <Synonyms> (483)
STI571, Glivec

>  <Form> (483)
Free Base

>  <URL> (483)
http://www.selleckchem.com/products/Imatinib(STI571).html

>  <CAS Number> (483)
152459-95-5

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4.22

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4

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2

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7

$$$$
CX-4945.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (484)
437

>  <Formula> (484)
C19H12ClN3O2

>  <MolWeight> (484)
349.77048

>  <Item Name> (484)
cx-4945 (Silmitasertib)

>  <Catalog Number> (484)
S2248

>  <Synonyms> (484)
N/A

>  <Target> (484)
PKC

>  <Form> (484)
Free Base

>  <URL> (484)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

>  <CAS Number> (484)
1009820-21-6

>  <ALogP> (484)
4.157

>  <HBA_Count> (484)
3

>  <HBD_Count> (484)
1

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3

$$$$
NU-7441(KU-57788).cdx
csChFnd80/03121814312D

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438

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C25H19NO3S

>  <MolWeight> (485)
413.48826

>  <Item Name> (485)
NU7441(KU-57788)

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S2638

>  <Synonyms> (485)
N/A

>  <Target> (485)
DNA-PK, PI3K

>  <Form> (485)
Free Base

>  <URL> (485)
http://www.selleckchem.com/products/nu7441.html

>  <CAS Number> (485)
503468-95-9

>  <ALogP> (485)
5.403

>  <HBA_Count> (485)
3

>  <HBD_Count> (485)
0

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2

$$$$
MLN0905.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (486)
439

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MLN0905

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PLK

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Free Base

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http://www.selleckchem.com/products/mln0905.html

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1228960-69-7

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5.355

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3

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2

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7

$$$$
GW2580.cdx
csChFnd80/03121814312D

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GW2580

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mTOR

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1251156-08-7

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ML167

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S7509

>  <Synonyms> (497)
CID 44968231

>  <Target> (497)
CDK

>  <Form> (497)
Free Base

>  <URL> (497)
http://www.selleckchem.com/products/ml167.html

>  <CAS Number> (497)
1285702-20-6

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3.033

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4

>  <HBD_Count> (497)
2

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5

$$$$
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csChFnd80/03121814312D

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>  <Mol_ID> (498)
451

>  <Formula> (498)
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Entospletinib (GS-9973)

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N/A

>  <Target> (498)
Syk

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4

$$$$
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>  <Mol_ID> (499)
452

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CGP 57380

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S7421

>  <Synonyms> (499)
N/A

>  <Target> (499)
MNK

>  <Form> (499)
Free Base

>  <URL> (499)
http://www.selleckchem.com/products/cgp57380.html

>  <CAS Number> (499)
522629-08-9

>  <ALogP> (499)
1.981

>  <HBA_Count> (499)
3

>  <HBD_Count> (499)
3

>  <Num_RotatableBonds> (499)
2

$$$$
UNC2881.cdx
csChFnd80/03121814312D

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453

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>  <URL> (500)
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>  <CAS Number> (500)
1493764-08-1

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4

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10

$$$$
FR 180204.cdx
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PKC

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>  <Mol_ID> (505)
458

>  <Formula> (505)
C20H28ClN7O3S

>  <MolWeight> (505)
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>  <Item Name> (505)
Cerdulatinib (PRT062070, PRT2070)

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S7634

>  <Synonyms> (505)
N/A

>  <Target> (505)
JAK

>  <Form> (505)
Hydrochloride

>  <URL> (505)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

>  <CAS Number> (505)
1369761-01-2

>  <ALogP> (505)
1.862

>  <HBA_Count> (505)
5

>  <HBD_Count> (505)
3

>  <Num_RotatableBonds> (505)
8

$$$$
PF-06463922.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (506)
459

>  <Formula> (506)
C21H19FN6O2

>  <MolWeight> (506)
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PF-06463922

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S7536

>  <Synonyms> (506)
N/A

>  <Target> (506)
ALK

>  <Form> (506)
Free Base

>  <URL> (506)
http://www.selleckchem.com/products/pf-06463922.html

>  <CAS Number> (506)
1454846-35-5

>  <ALogP> (506)
2.343

>  <HBA_Count> (506)
4

>  <HBD_Count> (506)
1

>  <Num_RotatableBonds> (506)
0

$$$$
DTP3.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (507)
460

>  <Formula> (507)
C26H35N7O5

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525.6

>  <Item Name> (507)
DTP3

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S7637

>  <Synonyms> (507)
N/A

>  <Target> (507)
JNK

>  <Form> (507)
Free Base

>  <URL> (507)
http://www.selleckchem.com/products/dtp3.html

>  <CAS Number> (507)
no

>  <ALogP> (507)
0

>  <HBA_Count> (507)
4

>  <HBD_Count> (507)
7

>  <Num_RotatableBonds> (507)
15

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/03121814312D

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>  <Mol_ID> (508)
461

>  <Formula> (508)
C22H22O8

>  <MolWeight> (508)
414.40528

>  <Item Name> (508)
Picropodophyllin (PPP)

>  <Catalog Number> (508)
S7668

>  <Synonyms> (508)
AXL1717

>  <Target> (508)
IGF-1R

>  <Form> (508)
Free Base

>  <URL> (508)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

>  <CAS Number> (508)
477-47-4

>  <ALogP> (508)
2.111

>  <HBA_Count> (508)
7

>  <HBD_Count> (508)
1

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4

$$$$
Reversine.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (509)
462

>  <Formula> (509)
C21H27N7O

>  <MolWeight> (509)
393.48538

>  <Item Name> (509)
Reversine

>  <Catalog Number> (509)
S7588

>  <Synonyms> (509)
N/A

>  <Target> (509)
Adenosine Receptor

>  <Form> (509)
Free Base

>  <URL> (509)
http://www.selleckchem.com/products/reversine.html

>  <CAS Number> (509)
656820-32-5

>  <ALogP> (509)
3.893

>  <HBA_Count> (509)
4

>  <HBD_Count> (509)
3

>  <Num_RotatableBonds> (509)
5

$$$$
PND-1186 (VS-471).cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (510)
463

>  <Formula> (510)
C25H26F3N5O3

>  <MolWeight> (510)
501.5008496

>  <Item Name> (510)
PND-1186 (VS-4718)

>  <Catalog Number> (510)
S7653

>  <Synonyms> (510)
SR-2156

>  <Target> (510)
FAK

>  <Form> (510)
Free Base

>  <URL> (510)
http://www.selleckchem.com/products/pnd-1186-vs-4718.html

>  <CAS Number> (510)
1061353-68-1

>  <ALogP> (510)
4.302

>  <HBA_Count> (510)
4

>  <HBD_Count> (510)
3

>  <Num_RotatableBonds> (510)
8

$$$$
Defactinib.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (511)
464

>  <Formula> (511)
C20H21F3N8O3S

>  <MolWeight> (511)
510.4927496

>  <Item Name> (511)
Defactinib (VS-6063, PF-04554878)

>  <Catalog Number> (511)
S7654

>  <Synonyms> (511)
VS-6063, PF-04554878

>  <Target> (511)
FAK

>  <Form> (511)
Free Base

>  <URL> (511)
http://www.selleckchem.com/products/defactinib.html

>  <CAS Number> (511)
1073154-85-4

>  <ALogP> (511)
1.774

>  <HBA_Count> (511)
7

>  <HBD_Count> (511)
3

>  <Num_RotatableBonds> (511)
9

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (512)
465

>  <Formula> (512)
C23H21Cl2FN4O3

>  <MolWeight> (512)
491.3422432

>  <Item Name> (512)
Poziotinib (HM781-36B)

>  <Catalog Number> (512)
S7358

>  <Synonyms> (512)
NOV120101

>  <Target> (512)
EGFR

>  <Form> (512)
Free Base

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http://www.selleckchem.com/products/poziotinib-hm781-36b.html

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1092364-38-9

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6

$$$$
PI-3065.cdx
csChFnd80/03121814312D

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C27H31FN6OS

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PI-3065

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S7623

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N/A

>  <Target> (513)
PI3K

>  <Form> (513)
Free Base

>  <URL> (513)
http://www.selleckchem.com/products/pi-3065.html

>  <CAS Number> (513)
955977-50-1

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4.778

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3

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1

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6

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/03121814312D

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467

>  <Formula> (514)
C24H28Cl2N2O4

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>  <Item Name> (514)
SBE 13 HCl

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S7720

>  <Synonyms> (514)
N/A

>  <Target> (514)
PLK

>  <Form> (514)
Hydrochloride

>  <URL> (514)
http://www.selleckchem.com/products/sbe-13-hcl.html

>  <CAS Number> (514)
1052532-15-6

>  <ALogP> (514)
4.895

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11

$$$$
LDC1267.cdx
csChFnd80/03121814312D

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Axl

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Free Base

>  <URL> (515)
http://www.selleckchem.com/products/ldc1267.html

>  <CAS Number> (515)
1361030-48-9

>  <ALogP> (515)
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$$$$
LY2584702 tosylate.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (516)
469

>  <Formula> (516)
C28H27F4N7O3S

>  <MolWeight> (516)
617.6176928

>  <Item Name> (516)
LY2584702 tosylate

>  <Catalog Number> (516)
S7704

>  <Synonyms> (516)
N/A

>  <Target> (516)
S6 Kinase

>  <Form> (516)
Tosylate

>  <URL> (516)
http://www.selleckchem.com/products/ly2584702-tosylate.html

>  <CAS Number> (516)
1082949-68-5

>  <ALogP> (516)
5.829

>  <HBA_Count> (516)
4

>  <HBD_Count> (516)
1

>  <Num_RotatableBonds> (516)
5

$$$$
Dovitinib Lactate.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (517)
470

>  <Formula> (517)
C24H27FN6O4

>  <MolWeight> (517)
482.5073832

>  <Item Name> (517)
Dovitinib (TKI258) Lactate

>  <Catalog Number> (517)
S7765

>  <Synonyms> (517)
N/A

>  <Target> (517)
FLT3

>  <Form> (517)
Lactate

>  <URL> (517)
http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

>  <CAS Number> (517)
915769-50-5

>  <ALogP> (517)
-1.646

>  <HBA_Count> (517)
3

>  <HBD_Count> (517)
4

>  <Num_RotatableBonds> (517)
3

$$$$
CH5183284 (Debio 1347).cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (518)
471

>  <Formula> (518)
C20H16N6O

>  <MolWeight> (518)
356.38064

>  <Item Name> (518)
CH5183284 (Debio-1347)

>  <Catalog Number> (518)
S7665

>  <Synonyms> (518)
FF284

>  <Target> (518)
FGFR

>  <Form> (518)
Free Base

>  <URL> (518)
http://www.selleckchem.com/products/ch5183284-debio-1347.html

>  <CAS Number> (518)
1265229-25-1

>  <ALogP> (518)
3.199

>  <HBA_Count> (518)
3

>  <HBD_Count> (518)
3

>  <Num_RotatableBonds> (518)
3

$$$$
LM-3572.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (519)
472

>  <Formula> (519)
C22H27FN4O2

>  <MolWeight> (519)
398.4737832

>  <Item Name> (519)
Sunitinib

>  <Catalog Number> (519)
S7781

>  <Synonyms> (519)
SU11248

>  <Target> (519)
PDGFR

>  <Form> (519)
Free Base

>  <URL> (519)
http://www.selleckchem.com/products/sunitinib.html

>  <CAS Number> (519)
557795-19-4

>  <ALogP> (519)
2.997

>  <HBA_Count> (519)
2

>  <HBD_Count> (519)
3

>  <Num_RotatableBonds> (519)
7

$$$$
Erlotinib free Base.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (520)
473

>  <Formula> (520)
C22H23N3O4

>  <MolWeight> (520)
393.43572

>  <Item Name> (520)
Erlotinib

>  <Catalog Number> (520)
S7786

>  <Synonyms> (520)
CP358774, NSC 718781

>  <Target> (520)
EGFR

>  <Form> (520)
Free Base

>  <URL> (520)
http://www.selleckchem.com/products/erlotinib.html

>  <CAS Number> (520)
183321-74-6

>  <ALogP> (520)
4.309

>  <HBA_Count> (520)
6

>  <HBD_Count> (520)
1

>  <Num_RotatableBonds> (520)
10

$$$$
CL-387785.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (521)
474

>  <Formula> (521)
C18H13BrN4O

>  <MolWeight> (521)
381.22602

>  <Item Name> (521)
CL-387785 (EKI-785)

>  <Catalog Number> (521)
S7557

>  <Synonyms> (521)
N/A

>  <Target> (521)
EGFR

>  <Form> (521)
Free Base

>  <URL> (521)
http://www.selleckchem.com/products/cl-387785-eki-785.html

>  <CAS Number> (521)
194423-06-8

>  <ALogP> (521)
4.568

>  <HBA_Count> (521)
3

>  <HBD_Count> (521)
2

>  <Num_RotatableBonds> (521)
4

$$$$
Afatinib dimaleate.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (522)
475

>  <Formula> (522)
C32H33ClFN5O11

>  <MolWeight> (522)
718.0827232

>  <Item Name> (522)
Afatinib (BIBW2992) Dimaleate

>  <Catalog Number> (522)
S7810

>  <Synonyms> (522)
N/A

>  <Target> (522)
EGFR

>  <Form> (522)
Dimaleate

>  <URL> (522)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

>  <CAS Number> (522)
850140-73-7

>  <ALogP> (522)
0.96

>  <HBA_Count> (522)
9

>  <HBD_Count> (522)
2

>  <Num_RotatableBonds> (522)
12

$$$$
Afuresertib £¨GSK2110183).cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (523)
476

>  <Formula> (523)
C18H17Cl2FN4OS

>  <MolWeight> (523)
427.3231832

>  <Item Name> (523)
Afuresertib (GSK2110183)

>  <Catalog Number> (523)
S7521

>  <Synonyms> (523)
N/A

>  <Target> (523)
Akt

>  <Form> (523)
Free Base

>  <URL> (523)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

>  <CAS Number> (523)
1047644-62-1

>  <ALogP> (523)
3.884

>  <HBA_Count> (523)
2

>  <HBD_Count> (523)
2

>  <Num_RotatableBonds> (523)
6

$$$$
GNE-317.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (524)
477

>  <Formula> (524)
C19H22N6O3S

>  <MolWeight> (524)
414.48138

>  <Item Name> (524)
GNE-317

>  <Catalog Number> (524)
S7798

>  <Synonyms> (524)
N/A

>  <Target> (524)
PI3K

>  <Form> (524)
Free Base

>  <URL> (524)
http://www.selleckchem.com/products/gne-317.html

>  <CAS Number> (524)
1394076-92-6

>  <ALogP> (524)
1.5

>  <HBA_Count> (524)
7

>  <HBD_Count> (524)
1

>  <Num_RotatableBonds> (524)
4

$$$$
Anisomycin.cdx
csChFnd80/03121814312D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  6  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (525)
478

>  <Formula> (525)
C14H19NO4

>  <MolWeight> (525)
265.30496

>  <Item Name> (525)
Anisomycin

>  <Catalog Number> (525)
S7409

>  <Synonyms> (525)
Flagecidin

>  <Target> (525)
JNK

>  <Form> (525)
Free Base

>  <URL> (525)
http://www.selleckchem.com/products/anisomycin.html

>  <CAS Number> (525)
22862-76-6

>  <ALogP> (525)
0.877

>  <HBA_Count> (525)
3

>  <HBD_Count> (525)
2

>  <Num_RotatableBonds> (525)
5

$$$$
XL147.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (526)
479

>  <Formula> (526)
C25H25ClN6O4S

>  <MolWeight> (526)
541.0218

>  <Item Name> (526)
Pilaralisib (XL147)

>  <Catalog Number> (526)
S7645

>  <Synonyms> (526)
N/A

>  <Target> (526)
PI3K

>  <Form> (526)
Free Base

>  <URL> (526)
http://www.selleckchem.com/products/pilaralisib-xl147.html

>  <CAS Number> (526)
934526-89-3

>  <ALogP> (526)
4.012

>  <HBA_Count> (526)
6

>  <HBD_Count> (526)
4

>  <Num_RotatableBonds> (526)
8

$$$$
AT7519 HCl.cdx
csChFnd80/03121814312D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (527)
480

>  <Formula> (527)
C16H18Cl3N5O2

>  <MolWeight> (527)
418.70542

>  <Item Name> (527)
AT7519 HCl

>  <Catalog Number> (527)
S7808

>  <Synonyms> (527)
N/A

>  <Target> (527)
CDK

>  <Form> (527)
Hydrochloride

>  <URL> (527)
http://www.selleckchem.com/products/at7519-hcl.html

>  <CAS Number> (527)
902135-91-5

>  <ALogP> (527)
1.98

>  <HBA_Count> (527)
3

>  <HBD_Count> (527)
4

>  <Num_RotatableBonds> (527)
4

$$$$
ARRY-614.cdx
csChFnd80/03121814312D

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481

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C31H33FN6O3

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>  <Item Name> (528)
Pexmetinib (ARRY-614)

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S7799

>  <Synonyms> (528)
N/A

>  <Target> (528)
p38 MAPK

>  <Form> (528)
Free Base

>  <URL> (528)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

>  <CAS Number> (528)
945614-12-0

>  <ALogP> (528)
6.271

>  <HBA_Count> (528)
4

>  <HBD_Count> (528)
3

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9

$$$$
PLX3397.cdx
csChFnd80/03121814312D

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482

>  <Formula> (529)
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417.8148096

>  <Item Name> (529)
Pexidartinib (PLX3397)

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S7818

>  <Synonyms> (529)
N/A

>  <Target> (529)
CSF-1R

>  <Form> (529)
Free Base

>  <URL> (529)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

>  <CAS Number> (529)
1029044-16-3

>  <ALogP> (529)
4.811

>  <HBA_Count> (529)
3

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2

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6

$$$$
BI-847325.cdx
csChFnd80/03121814312D

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483

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C29H28N4O2

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>  <Item Name> (530)
BI-847325

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>  <Synonyms> (530)
N/A

>  <Target> (530)
MEK

>  <Form> (530)
Free Base

>  <URL> (530)
http://www.selleckchem.com/products/bi-847325.html

>  <CAS Number> (530)
1207293-36-4

>  <ALogP> (530)
4.041

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2

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3

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8

$$$$
AZ5104.cdx
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>  <Target> (531)
EGFR

>  <Form> (531)
Free Base

>  <URL> (531)
http://www.selleckchem.com/products/az5104.html

>  <CAS Number> (531)
1421373-98-9

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$$$$
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LRRK2-IN-1

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>  <Synonyms> (532)
N/A

>  <Target> (532)
LRRK2

>  <Form> (532)
Free Base

>  <URL> (532)
http://www.selleckchem.com/products/lrrk2-in-1.html

>  <CAS Number> (532)
1234480-84-2

>  <ALogP> (532)
3.043

>  <HBA_Count> (532)
5

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1

>  <Num_RotatableBonds> (532)
5

$$$$
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c-Met

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$$$$
GDC0623.cdx
csChFnd80/03121814312D

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496

>  <Formula> (543)
C26H28N4O3

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DEL-22379

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N/A

>  <Target> (543)
ERK

>  <Form> (543)
Free Base

>  <URL> (543)
http://www.selleckchem.com/products/del-22379.html

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181223-80-3

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3.3

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3

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3

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6

$$$$
ASP015K.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (544)
497

>  <Formula> (544)
C18H22N4O2

>  <MolWeight> (544)
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>  <Item Name> (544)
Peficitinib (ASP015K, JNJ-54781532)

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S7650

>  <Synonyms> (544)
N/A

>  <Target> (544)
JAK

>  <Form> (544)
Free Base

>  <URL> (544)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

>  <CAS Number> (544)
944118-01-8

>  <ALogP> (544)
1.023

>  <HBA_Count> (544)
2

>  <HBD_Count> (544)
3

>  <Num_RotatableBonds> (544)
3

$$$$
CH5126766 (RO5126766).cdx
csChFnd80/03121814312D

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>  <Mol_ID> (545)
498

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C21H18FN5O5S

>  <MolWeight> (545)
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>  <Item Name> (545)
RO5126766 (CH5126766)

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>  <Synonyms> (545)
N/A

>  <Target> (545)
Raf

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Free Base

>  <URL> (545)
http://www.selleckchem.com/products/ro5126766-ch5126766.html

>  <CAS Number> (545)
946128-88-7

>  <ALogP> (545)
2.473

>  <HBA_Count> (545)
8

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2

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7

$$$$
Neratinib.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (546)
499

>  <Formula> (546)
C30H29ClN6O3

>  <MolWeight> (546)
557.04266

>  <Item Name> (546)
Neratinib (HKI-272)

>  <Catalog Number> (546)
S2150

>  <Synonyms> (546)
N/A

>  <Target> (546)
HER2, EGFR

>  <Form> (546)
Free Base

>  <URL> (546)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

>  <CAS Number> (546)
698387-09-6

>  <ALogP> (546)
4.881

>  <HBA_Count> (546)
5

>  <HBD_Count> (546)
2

>  <Num_RotatableBonds> (546)
11

$$$$
GSK1070916.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (547)
500

>  <Formula> (547)
C30H33N7O

>  <MolWeight> (547)
507.62932

>  <Item Name> (547)
GSK1070916

>  <Catalog Number> (547)
S2740

>  <Synonyms> (547)
N/A

>  <Target> (547)
Aurora Kinase

>  <Form> (547)
Free Base

>  <URL> (547)
http://www.selleckchem.com/products/gsk1070916.html

>  <CAS Number> (547)
942918-07-2

>  <ALogP> (547)
4.841

>  <HBA_Count> (547)
3

>  <HBD_Count> (547)
2

>  <Num_RotatableBonds> (547)
7

$$$$
Bardoxolone Methyl.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (548)
501

>  <Formula> (548)
C32H43NO4

>  <MolWeight> (548)
505.68812

>  <Item Name> (548)
Bardoxolone Methyl

>  <Catalog Number> (548)
S8078

>  <Synonyms> (548)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (548)
I¦ÊB/IKK

>  <Form> (548)
Free Base

>  <URL> (548)
http://www.selleckchem.com/products/bardoxolone-methyl.html

>  <CAS Number> (548)
218600-53-4

>  <ALogP> (548)
5.798

>  <HBA_Count> (548)
4

>  <HBD_Count> (548)
0

>  <Num_RotatableBonds> (548)
2

$$$$
AZ191.cdx
csChFnd80/03121814312D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (549)
502

>  <Formula> (549)
C24H27N7O

>  <MolWeight> (549)
429.51748

>  <Item Name> (549)
AZ191

>  <Catalog Number> (549)
S7338

>  <Synonyms> (549)
N/A

>  <Target> (549)
DYRK

>  <Form> (549)
Free Base

>  <URL> (549)
http://www.selleckchem.com/products/az191.html

>  <ALogP> (549)
3.521

>  <HBA_Count> (549)
4

>  <HBD_Count> (549)
1

>  <Num_RotatableBonds> (549)
5

$$$$
NMS-P937.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (550)
503

>  <Formula> (550)
C24H27F3N8O3

>  <MolWeight> (550)
532.5181896

>  <Item Name> (550)
NMS-P937 (NMS1286937)

>  <Catalog Number> (550)
S7255

>  <Synonyms> (550)
N/A

>  <Target> (550)
PLK

>  <Form> (550)
Free Base

>  <URL> (550)
http://www.selleckchem.com/products/nms-p937-nms1286937.html

>  <CAS Number> (550)
1034616-18-6

>  <ALogP> (550)
4.742

>  <HBA_Count> (550)
5

>  <HBD_Count> (550)
3

>  <Num_RotatableBonds> (550)
8

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (551)
504

>  <Formula> (551)
C25H31N7O6

>  <MolWeight> (551)
525.55694

>  <Item Name> (551)
ENMD-2076 L-(+)-Tartaric acid

>  <Catalog Number> (551)
S2018

>  <Synonyms> (551)
N/A

>  <Target> (551)
FLT3

>  <Form> (551)
L-(+)-Tartaric 

>  <URL> (551)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

>  <CAS Number> (551)
1291074-87-7

>  <ALogP> (551)
-0.683

>  <HBA_Count> (551)
5

>  <HBD_Count> (551)
4

>  <Num_RotatableBonds> (551)
8

$$$$
Voxtalisib (XL765, SAR245409).cdx
csChFnd80/03121814312D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (552)
505

>  <Formula> (552)
C13H14N6O

>  <MolWeight> (552)
270.28986

>  <Item Name> (552)
Voxtalisib (XL765, SAR245409)

>  <Catalog Number> (552)
S7646

>  <Synonyms> (552)
N/A

>  <Target> (552)
PI3K

>  <Form> (552)
Free Base

>  <URL> (552)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

>  <CAS Number> (552)
934493-76-2

>  <ALogP> (552)
0.838

>  <HBA_Count> (552)
4

>  <HBD_Count> (552)
2

>  <Num_RotatableBonds> (552)
2

$$$$
Radotinib (IY-5511).cdx
csChFnd80/03121814312D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (553)
506

>  <Formula> (553)
C27H21F3N8O

>  <MolWeight> (553)
530.5038496

>  <Item Name> (553)
Radotinib

>  <Catalog Number> (553)
S8134

>  <Synonyms> (553)
IY-5511

>  <Target> (553)
Bcr-Abl

>  <Form> (553)
Free Base

>  <URL> (553)
http://www.selleckchem.com/products/radotinib.html

>  <CAS Number> (553)
926037-48-1

>  <ALogP> (553)
4.362

>  <HBA_Count> (553)
6

>  <HBD_Count> (553)
2

>  <Num_RotatableBonds> (553)
7

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (554)
507

>  <Formula> (554)
C15H23ClFN3O4S

>  <MolWeight> (554)
395.8772232

>  <Item Name> (554)
Ripasudil (K-115)

>  <Catalog Number> (554)
S7995

>  <Synonyms> (554)
N/A

>  <Target> (554)
ROCK

>  <Form> (554)
Hydrochloride d

>  <URL> (554)
http://www.selleckchem.com/products/ripasudil-k-115.html

>  <CAS Number> (554)
887375-67-9

>  <ALogP> (554)
0.739

>  <HBA_Count> (554)
3

>  <HBD_Count> (554)
1

>  <Num_RotatableBonds> (554)
2

$$$$
K03861.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (555)
508

>  <Formula> (555)
C24H26F3N7O2

>  <MolWeight> (555)
501.5041496

>  <Item Name> (555)
K03861

>  <Catalog Number> (555)
S8100

>  <Synonyms> (555)
N/A

>  <Target> (555)
CDK

>  <Form> (555)
Free Base

>  <URL> (555)
http://www.selleckchem.com/products/k03861.html

>  <CAS Number> (555)
853299-07-7

>  <ALogP> (555)
3.591

>  <HBA_Count> (555)
4

>  <HBD_Count> (555)
3

>  <Num_RotatableBonds> (555)
7

$$$$
GNF-7.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (556)
509

>  <Formula> (556)
C28H24F3N7O2

>  <MolWeight> (556)
547.5310696

>  <Item Name> (556)
GNF-7

>  <Catalog Number> (556)
S8140

>  <Synonyms> (556)
N/A

>  <Target> (556)
Bcr-Abl

>  <Form> (556)
Free Base

>  <URL> (556)
http://www.selleckchem.com/products/gnf-7.html

>  <CAS Number> (556)
839706-07-9

>  <ALogP> (556)
4.864

>  <HBA_Count> (556)
5

>  <HBD_Count> (556)
2

>  <Num_RotatableBonds> (556)
6

$$$$
KD025 (SLx-2119).cdx
csChFnd80/03121814312D

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452.50776

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S7936

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N/A

>  <Target> (557)
ROCK

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Free Base

>  <URL> (557)
http://www.selleckchem.com/products/kd025-(slx-2119).html

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911417-87-3

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4.51

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5

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3

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7

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PF-06447475.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (558)
511

>  <Formula> (558)
C17H15N5O

>  <MolWeight> (558)
305.3339

>  <Item Name> (558)
PF-06447475

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S8202

>  <Synonyms> (558)
N/A

>  <Target> (558)
LRRK2

>  <Form> (558)
Free Base

>  <URL> (558)
http://www.selleckchem.com/products/pf-06447475.html

>  <CAS Number> (558)
1527473-33-1

>  <ALogP> (558)
2.33

>  <HBA_Count> (558)
3

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1

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2

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Kenpaullone.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (559)
512

>  <Formula> (559)
C16H11BrN2O

>  <MolWeight> (559)
327.17534

>  <Item Name> (559)
Kenpaullone

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S7917

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N/A

>  <Target> (559)
CDK

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Free Base

>  <URL> (559)
http://www.selleckchem.com/products/kenpaullone.html

>  <CAS Number> (559)
142273-20-9

>  <ALogP> (559)
3.671

>  <HBA_Count> (559)
1

>  <HBD_Count> (559)
2

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0

$$$$
Acalabrutinib.cdx
csChFnd80/03121814312D

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513

>  <Formula> (560)
C26H23N7O2

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>  <Item Name> (560)
Acalabrutinib (ACP-196)

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S8116

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N/A

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BTK

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Free Base

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http://www.selleckchem.com/products/acalabrutinib.html

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1420477-60-6

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2.699

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5

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2

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5

$$$$
PIK-III.cdx
csChFnd80/03121814312D

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514

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PIK-III

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VPS34-IN2

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Autophagy

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Free Base

>  <URL> (561)
http://www.selleckchem.com/products/pik-iii.html

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5

$$$$
PRT-060318 (PRT318) 3HCl.cdx
csChFnd80/03121814312D

 28 27  0  0  0  0  0  0  0  0999 V2000
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    2.3360    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8611   18.6115    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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  5  9  1  0  0  0  0
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  9 11  2  0  0  0  0
  2 12  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 18 19  1  1  0  0  0
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 24  8  1  0  0  0  0
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M  END
>  <Mol_ID> (562)
515

>  <Formula> (562)
C18H27Cl3N6O

>  <MolWeight> (562)
449.80558

>  <Item Name> (562)
PRT-060318 (PRT318) 3HCl

>  <Catalog Number> (562)
S7738

>  <Synonyms> (562)
PRT318

>  <Target> (562)
Syk

>  <Form> (562)
hydrochloride s

>  <URL> (562)
http://www.selleckchem.com/products/prt-060318-prt318-3hcl.html

>  <CAS Number> (562)
1194961-19-7 (free base)

>  <ALogP> (562)
3.706

>  <HBA_Count> (562)
3

>  <HBD_Count> (562)
4

>  <Num_RotatableBonds> (562)
5

$$$$
IC261.cdx
csChFnd80/03121814312D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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M  END
>  <Mol_ID> (563)
516

>  <Formula> (563)
C18H17NO4

>  <MolWeight> (563)
311.33188

>  <Item Name> (563)
IC261

>  <Catalog Number> (563)
S8237

>  <Synonyms> (563)
SU-5607

>  <Target> (563)
Casein Kinase

>  <Form> (563)
Free Base

>  <URL> (563)
http://www.selleckchem.com/products/ic261.html

>  <CAS Number> (563)
186611-52-9

>  <ALogP> (563)
2.681

>  <HBA_Count> (563)
4

>  <HBD_Count> (563)
1

>  <Num_RotatableBonds> (563)
4

$$$$
R 788.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (564)
517

>  <Formula> (564)
C23H24FN6Na2O9P

>  <MolWeight> (564)
624.4231642

>  <Item Name> (564)
R935788 (Fostamatinib disodium)

>  <Catalog Number> (564)
S2206

>  <Synonyms> (564)
N/A

>  <Target> (564)
Syk

>  <Form> (564)
Sodium Salt

>  <URL> (564)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

>  <CAS Number> (564)
1025687-58-4

>  <ALogP> (564)
1.281

>  <Num_RotatableBonds> (564)
10

$$$$
NS-187.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (565)
518

>  <Formula> (565)
C30H31F3N8O

>  <MolWeight> (565)
576.6153496

>  <Item Name> (565)
Bafetinib (INNO-406)

>  <Catalog Number> (565)
S1369

>  <Synonyms> (565)
NS-187

>  <Target> (565)
Abl,Lyn

>  <Form> (565)
Free Base

>  <URL> (565)
http://www.selleckchem.com/products/Bafetinib.html

>  <CAS Number> (565)
859212-16-1

>  <ALogP> (565)
4.197

>  <HBA_Count> (565)
5

>  <HBD_Count> (565)
2

>  <Num_RotatableBonds> (565)
9

$$$$
Arry-380.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (566)
519

>  <Formula> (566)
C29H27N7O4S

>  <MolWeight> (566)
569.63418

>  <Item Name> (566)
HER2 Inhibitor 1

>  <Catalog Number> (566)
S2752

>  <Synonyms> (566)
N/A

>  <Target> (566)
HER2, EGFR

>  <Form> (566)
Free Base

>  <URL> (566)
http://www.selleckchem.com/products/arry-380.html

>  <CAS Number> (566)
937265-83-3

>  <ALogP> (566)
4.446

>  <HBA_Count> (566)
8

>  <HBD_Count> (566)
2

>  <Num_RotatableBonds> (566)
10

$$$$
LGX818.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (567)
520

>  <Formula> (567)
C22H27ClFN7O4S

>  <MolWeight> (567)
540.0106832

>  <Item Name> (567)
Encorafenib (LGX818)

>  <Catalog Number> (567)
S7108

>  <Synonyms> (567)
N/A

>  <Target> (567)
Raf

>  <Form> (567)
Free Base

>  <URL> (567)
http://www.selleckchem.com/products/lgx818.html

>  <CAS Number> (567)
1269440-17-6

>  <ALogP> (567)
3.645

>  <HBA_Count> (567)
7

>  <HBD_Count> (567)
3

>  <Num_RotatableBonds> (567)
10

$$$$
GDC0994.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (568)
521

>  <Formula> (568)
C21H18ClFN6O2

>  <MolWeight> (568)
440.8580232

>  <Item Name> (568)
GDC-0994

>  <Catalog Number> (568)
S7554

>  <Synonyms> (568)
N/A

>  <Target> (568)
ERK

>  <Form> (568)
Free Base

>  <URL> (568)
http://www.selleckchem.com/products/gdc-0994.html

>  <CAS Number> (568)
1453848-26-4

>  <ALogP> (568)
2.798

>  <HBA_Count> (568)
4

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2

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6

$$$$
midostaurin(pkc412).cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (569)
522

>  <Formula> (569)
C35H30N4O4

>  <MolWeight> (569)
570.6371

>  <Item Name> (569)
Midostaurin(PKC412)

>  <Catalog Number> (569)
S8064

>  <Synonyms> (569)
N/A

>  <Target> (569)
PKC

>  <Form> (569)
Free Base

>  <URL> (569)
http://www.selleckchem.com/products/midostaurin-pkc412.html

>  <CAS Number> (569)
120685-11-2

>  <ALogP> (569)
5.279

>  <HBA_Count> (569)
4

>  <HBD_Count> (569)
1

>  <Num_RotatableBonds> (569)
3

$$$$
LY333531.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (570)
523

>  <Formula> (570)
C28H29ClN4O3

>  <MolWeight> (570)
505.00786

>  <Item Name> (570)
LY333531 HCl

>  <Catalog Number> (570)
S7663

>  <Synonyms> (570)
Ruboxistaurin

>  <Target> (570)
PKC

>  <Form> (570)
hydrochloride

>  <URL> (570)
http://www.selleckchem.com/products/ly333531.html

>  <CAS Number> (570)
169939-93-9

>  <ALogP> (570)
3.861

>  <HBA_Count> (570)
3

>  <HBD_Count> (570)
1

>  <Num_RotatableBonds> (570)
2

$$$$
FRAX486.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (571)
524

>  <Formula> (571)
C25H23Cl2FN6O

>  <MolWeight> (571)
513.3941232

>  <Item Name> (571)
FRAX486

>  <Catalog Number> (571)
S7807

>  <Synonyms> (571)
N/A

>  <Target> (571)
PAK

>  <Form> (571)
Free Base

>  <URL> (571)
http://www.selleckchem.com/products/frax486.html

>  <CAS Number> (571)
1232030-35-1

>  <ALogP> (571)
5.235

>  <HBA_Count> (571)
3

>  <HBD_Count> (571)
2

>  <Num_RotatableBonds> (571)
5

$$$$
EAI045.cdx
csChFnd80/03121814312D

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EAI045

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S8242

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EGFR

>  <Form> (572)
Free Base

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http://www.selleckchem.com/products/eai045.html

>  <CAS Number> (572)
1942114-09-1

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2.313

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3

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2

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4

$$$$
Shikonin.cdx
csChFnd80/03121814312D

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526

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C16H16O5

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288.29524

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Shikonin

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S8279

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N/A

>  <Target> (573)
Others

>  <Form> (573)
Free Base

>  <URL> (573)
http://www.selleckchem.com/products/shikonin.html

>  <CAS Number> (573)
517-89-5

>  <ALogP> (573)
2.444

>  <HBA_Count> (573)
2

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3

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3

$$$$
AZD8835.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (574)
527

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C22H31N9O3

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AZD8835

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S7966

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N/A

>  <Target> (574)
PI3K

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Free Base

>  <URL> (574)
http://www.selleckchem.com/products/azd8835.html

>  <CAS Number> (574)
1620576-64-8

>  <ALogP> (574)
0.942

>  <HBA_Count> (574)
8

>  <HBD_Count> (574)
2

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7

$$$$
Necrosulfonamide.cdx
csChFnd80/03121814312D

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528

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Necrosulfonamide

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S8251

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Free Base

>  <URL> (575)
http://www.selleckchem.com/products/necrosulfonamide.html

>  <CAS Number> (575)
1360614-48-7

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2.303

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6

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2

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8

$$$$
BAY-61-3606.cdx
csChFnd80/03121814312D

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>  <Item Name> (576)
BAY-61-3606

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S7006

>  <Synonyms> (576)
N/A

>  <Target> (576)
Syk

>  <Form> (576)
dihydrochloride

>  <URL> (576)
http://www.selleckchem.com/products/bay-61-3606.html

>  <CAS Number> (576)
648903-57-5

>  <ALogP> (576)
3.082

>  <HBA_Count> (576)
6

>  <HBD_Count> (576)
2

>  <Num_RotatableBonds> (576)
6

$$$$
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csChFnd80/03121814312D

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>  <Mol_ID> (577)
530

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C21H24F3N7O2

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>  <Item Name> (577)
WNK463

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S8358

>  <Synonyms> (577)
N/A

>  <Target> (577)
Others

>  <Form> (577)
Free Base

>  <URL> (577)
http://www.selleckchem.com/products/wnk463.html

>  <CAS Number> (577)
2012607-27-9

>  <ALogP> (577)
2.173

>  <HBA_Count> (577)
6

>  <HBD_Count> (577)
1

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6

$$$$
LOXO-101.cdx
csChFnd80/03121814312D

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531

>  <Formula> (578)
C21H24F2N6O6S

>  <MolWeight> (578)
526.5136664

>  <Item Name> (578)
LOXO-101(sulfate)

>  <Catalog Number> (578)
S7960

>  <Synonyms> (578)
N/A

>  <Target> (578)
Trk receptor

>  <Form> (578)
sulfate

>  <URL> (578)
http://www.selleckchem.com/products/loxo-101.html

>  <CAS Number> (578)
1223405-08-0

>  <ALogP> (578)
1.374

>  <HBA_Count> (578)
3

>  <HBD_Count> (578)
2

>  <Num_RotatableBonds> (578)
3

$$$$
APS-2-79.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (579)
532

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C23H22ClN3O3

>  <MolWeight> (579)
423.89208

>  <Item Name> (579)
APS-2-79 HCl

>  <Catalog Number> (579)
S8355

>  <Synonyms> (579)
N/A

>  <Target> (579)
MEK

>  <Form> (579)
hydrochloride

>  <URL> (579)
http://www.selleckchem.com/products/aps-2-79.html

>  <CAS Number> (579)
2002381-31-7

>  <ALogP> (579)
5.873

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5

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1

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6

$$$$
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M  END
>  <Mol_ID> (580)
533

>  <Formula> (580)
C23H28N8O

>  <MolWeight> (580)
432.52142

>  <Item Name> (580)
BMS-911543

>  <Catalog Number> (580)
S7144

>  <Synonyms> (580)
N/A

>  <Target> (580)
JAK

>  <Form> (580)
Free Base

>  <URL> (580)
http://www.selleckchem.com/products/bms-911543.html

>  <CAS Number> (580)
1271022-90-2

>  <ALogP> (580)
3.556

>  <HBA_Count> (580)
4

>  <HBD_Count> (580)
1

>  <Num_RotatableBonds> (580)
6

$$$$
Deguelin.cdx
csChFnd80/03121814312D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (581)
534

>  <Formula> (581)
C23H22O6

>  <MolWeight> (581)
394.41718

>  <Item Name> (581)
Deguelin

>  <Catalog Number> (581)
S8132

>  <Synonyms> (581)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (581)
Akt

>  <Form> (581)
Free Base

>  <URL> (581)
http://www.selleckchem.com/products/deguelin.html

>  <CAS Number> (581)
522-17-8

>  <ALogP> (581)
3.567

>  <HBA_Count> (581)
6

>  <HBD_Count> (581)
0

>  <Num_RotatableBonds> (581)
2

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/03121814312D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (582)
535

>  <Formula> (582)
C22H15F3N4O2

>  <MolWeight> (582)
424.3753096

>  <Item Name> (582)
BAW2881 (NVP-BAW2881)

>  <Catalog Number> (582)
S8189

>  <Synonyms> (582)
N/A

>  <Target> (582)
VEGFR

>  <Form> (582)
Free Base

>  <URL> (582)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

>  <CAS Number> (582)
861875-60-7

>  <ALogP> (582)
4.56

>  <HBA_Count> (582)
4

>  <HBD_Count> (582)
2

>  <Num_RotatableBonds> (582)
5

$$$$
Pamapimod.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (583)
536

>  <Formula> (583)
C19H20F2N4O4

>  <MolWeight> (583)
406.3833064

>  <Item Name> (583)
Pamapimod (R-1503, Ro4402257)

>  <Catalog Number> (583)
S8125

>  <Synonyms> (583)
N/A

>  <Target> (583)
p38 MAPK

>  <Form> (583)
Free Base

>  <URL> (583)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

>  <CAS Number> (583)
449811-01-2

>  <ALogP> (583)
1.298

>  <HBA_Count> (583)
4

>  <HBD_Count> (583)
3

>  <Num_RotatableBonds> (583)
8

$$$$
BFH772.cdx
csChFnd80/03121814312D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
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537

>  <Formula> (584)
C23H16F3N3O3

>  <MolWeight> (584)
439.3866496

>  <Item Name> (584)
BFH772

>  <Catalog Number> (584)
S8188

>  <Synonyms> (584)
BFH 772, BFH-772

>  <Target> (584)
VEGFR

>  <Form> (584)
Free Base

>  <URL> (584)
http://www.selleckchem.com/products/bfh772.html

>  <CAS Number> (584)
890128-81-1

>  <ALogP> (584)
4.396

>  <HBA_Count> (584)
4

>  <HBD_Count> (584)
2

>  <Num_RotatableBonds> (584)
6

$$$$
GSK269962.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (585)
538

>  <Formula> (585)
C29H31ClN8O5

>  <MolWeight> (585)
607.06004

>  <Item Name> (585)
GSK269962 HCl

>  <Catalog Number> (585)
S7687

>  <Synonyms> (585)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, 

>  <Target> (585)
ROCK

>  <Form> (585)
hydrochloride

>  <URL> (585)
http://www.selleckchem.com/products/gsk269962.html

>  <CAS Number> (585)
850664-21-0(free base)

>  <ALogP> (585)
3.776

>  <HBA_Count> (585)
9

>  <HBD_Count> (585)
2

>  <Num_RotatableBonds> (585)
10

$$$$
NT157.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (586)
539

>  <Formula> (586)
C16H14BrNO5S

>  <MolWeight> (586)
412.25506

>  <Item Name> (586)
NT157

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S8228

>  <Synonyms> (586)
N/A

>  <Target> (586)
IGF-1R

>  <Form> (586)
Free Base

>  <URL> (586)
http://www.selleckchem.com/products/nt157.html

>  <CAS Number> (586)
1384426-12-3

>  <ALogP> (586)
3.721

>  <HBA_Count> (586)
0

>  <HBD_Count> (586)
6

>  <Num_RotatableBonds> (586)
5

$$$$
RO9021.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (587)
540

>  <Formula> (587)
C18H25N7O

>  <MolWeight> (587)
355.4374

>  <Item Name> (587)
RO9021

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S7286

>  <Synonyms> (587)
N/A

>  <Target> (587)
Syk

>  <Form> (587)
Free Base

>  <URL> (587)
http://www.selleckchem.com/products/ro9021.html

>  <CAS Number> (587)
1446790-62-0

>  <ALogP> (587)
2.299

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4

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4

>  <Num_RotatableBonds> (587)
5

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (588)
541

>  <Formula> (588)
C26H24N8O2

>  <MolWeight> (588)
480.52116

>  <Item Name> (588)
ARRY-380 (ONT-380)

>  <Catalog Number> (588)
S8362

>  <Synonyms> (588)
Tucatinib

>  <Target> (588)
HER2

>  <Form> (588)
Free Base

>  <URL> (588)
http://www.selleckchem.com/products/arry-380-ont-380.html

>  <CAS Number> (588)
937263-43-9

>  <ALogP> (588)
4.744

>  <HBA_Count> (588)
7

>  <HBD_Count> (588)
2

>  <Num_RotatableBonds> (588)
6

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (589)
542

>  <Formula> (589)
C30H22F2N6O3

>  <MolWeight> (589)
552.5308864

>  <Item Name> (589)
LY2801653 (Merestinib)

>  <Catalog Number> (589)
S7014

>  <Synonyms> (589)
N/A

>  <Target> (589)
c-Met

>  <Form> (589)
Free Base

>  <URL> (589)
http://www.selleckchem.com/products/ly2801653-merestinib.html

>  <CAS Number> (589)
1206799-15-6

>  <ALogP> (589)
4.5

>  <HBA_Count> (589)
5

>  <HBD_Count> (589)
2

>  <Num_RotatableBonds> (589)
6

$$$$
GDC-0084.cdx
csChFnd80/03121814312D

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>  <Mol_ID> (590)
543

>  <Formula> (590)
C18H22N8O2

>  <MolWeight> (590)
382.41968

>  <Item Name> (590)
GDC-0084

>  <Catalog Number> (590)
S8163

>  <Synonyms> (590)
N/A

>  <Target> (590)
PI3K

>  <Form> (590)
Free Base

>  <URL> (590)
http://www.selleckchem.com/products/gdc-0084.html

>  <CAS Number> (590)
1382979-44-3

>  <ALogP> (590)
0.588

>  <HBA_Count> (590)
7

>  <HBD_Count> (590)
1

>  <Num_RotatableBonds> (590)
2

$$$$
ML-7.cdx
csChFnd80/03121814312D

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M  END
>  <Mol_ID> (591)
544

>  <Formula> (591)
C15H18ClIN2O2S

>  <MolWeight> (591)
452.73809

>  <Item Name> (591)
ML-7 HCl

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S8388

>  <Synonyms> (591)
N/A

>  <Target> (591)
Others

>  <Form> (591)
hydrochloride

>  <URL> (591)
http://www.selleckchem.com/products/ml-7.html

>  <CAS Number> (591)
110448-33-4

>  <ALogP> (591)
2.299

>  <HBA_Count> (591)
2

>  <HBD_Count> (591)
1

>  <Num_RotatableBonds> (591)
2

$$$$
CC-115.cdx
csChFnd80/03121814312D

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DNA-PK

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Free Base

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1228013-15-7

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CZ415.cdx
csChFnd80/03121814312D

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>  <Target> (593)
mTOR

>  <Form> (593)
Free Base

>  <URL> (593)
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>  <CAS Number> (593)
1429639-50-8

>  <ALogP> (593)
2.2

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6

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2

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4

$$$$
XMD16-5.cdx
csChFnd80/03121814312D

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ACK

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http://www.selleckchem.com/products/xmd16-5.html

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1345098-78-3

>  <ALogP> (594)
2.967

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3

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3

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3

$$$$
XMD8-87.cdx
csChFnd80/03121814312D

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ACK

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$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/03121814312D

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    6.0329    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6081    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7324    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4578    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5200    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0923    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  1  0  0  0  0
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 13 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 14 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 14  1  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 11  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (596)
549

>  <Formula> (596)
C25H30N6O2

>  <MolWeight> (596)
446.5447

>  <Item Name> (596)
JNJ-42756493 (Erdafitinib)

>  <Catalog Number> (596)
S8401

>  <Synonyms> (596)
N/A

>  <Target> (596)
FGFR

>  <Form> (596)
Free Base

>  <URL> (596)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

>  <CAS Number> (596)
1346242-81-6

>  <ALogP> (596)
3.943

>  <HBA_Count> (596)
5

>  <HBD_Count> (596)
1

>  <Num_RotatableBonds> (596)
9

$$$$
Y-39983 HCl.cdx
csChFnd80/03121814312D

 24 24  0  0  0  0  0  0  0  0999 V2000
    9.6794    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6794    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8919    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8919    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6390    3.2632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2085    1.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6008    2.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3168    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7416    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7416    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9541    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1665    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1665    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9541    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3789    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3789    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5914    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5914    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
M  END
>  <Mol_ID> (597)
550

>  <Formula> (597)
C16H18Cl2N4O

>  <MolWeight> (597)
353.24632

>  <Item Name> (597)
Y-39983 HCl

>  <Catalog Number> (597)
S7935

>  <Synonyms> (597)
Y-33075 HCl

>  <Target> (597)
ROCK

>  <Form> (597)
dihydrochloride

>  <URL> (597)
http://www.selleckchem.com/products/y-39983-hcl.html

>  <CAS Number> (597)
173897-44-4

>  <ALogP> (597)
2.204

>  <HBA_Count> (597)
2

>  <HBD_Count> (597)
3

>  <Num_RotatableBonds> (597)
3

$$$$
S4736 Trapidil.cdx
csChFnd80/03121814312D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  6  1  2  0  0  0  0
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 11 14  1  0  0  0  0
  2 15  1  0  0  0  0
  4  3  1  0  0  0  0
  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (598)
551

>  <Formula> (598)
C10H15N5

>  <MolWeight> (598)
205.2596

>  <Item Name> (598)
Trapidil

>  <Catalog Number> (598)
S4736

>  <Synonyms> (598)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (598)
PDGFR

>  <Form> (598)
Free Base

>  <URL> (598)
http://www.selleckchem.com/products/trapidil.html

>  <CAS Number> (598)
15421-84-8

>  <ALogP> (598)
1.922

>  <HBA_Count> (598)
3

>  <HBD_Count> (598)
0

>  <Num_RotatableBonds> (598)
3

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/03121814312D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.4619    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743   10.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    5.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8972    7.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1347    6.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0157    5.3689    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1010    5.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8635    3.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029    5.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0673    3.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693    3.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0337    2.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7962    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942    1.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8298    2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (599)
552

>  <Formula> (599)
C21H20N2O3S

>  <MolWeight> (599)
380.4601

>  <Item Name> (599)
ZINC00881524 (ROCK inhibitor)

>  <Catalog Number> (599)
S8448

>  <Synonyms> (599)
N/A

>  <Target> (599)
ROCK

>  <Form> (599)
Free Base

>  <URL> (599)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

>  <CAS Number> (599)
557782-81-7

>  <ALogP> (599)
4.031

>  <HBA_Count> (599)
4

>  <HBD_Count> (599)
1

>  <Num_RotatableBonds> (599)
5

$$$$
STO-609.cdx
csChFnd80/03121814312D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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 10  5  1  0  0  0  0
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 13  6  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (600)
553

>  <Formula> (600)
C19H10N2O3

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CDK

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dihydrochloride

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c-Met  & FGFR

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    8.6334    6.2923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1986    2.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5680    2.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048    3.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    5.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0007    1.3765    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 21  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (604)
557

>  <Formula> (604)
C20H19FN4O2S

>  <MolWeight> (604)
398.4538632

>  <Item Name> (604)
GSK583

>  <Catalog Number> (604)
S8261

>  <Synonyms> (604)
N/A

>  <Target> (604)
NF-¦ÊB

>  <Form> (604)
Free Base

>  <URL> (604)
http://www.selleckchem.com/products/gsk583.html

>  <CAS Number> (604)
1346547-00-9

>  <ALogP> (604)
4.412

>  <HBA_Count> (604)
4

>  <HBD_Count> (604)
2

>  <Num_RotatableBonds> (604)
4

$$$$
ARQ 092.cdx
csChFnd80/03121814312D

 34 38  0  0  0  0  0  0  0  0999 V2000
    3.6331    8.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.8134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    7.0808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    9.3460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6075    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3075    7.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7075    7.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4075    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7075    9.4258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3075    9.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8206    5.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8838    4.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3164    3.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6858    3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6226    4.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1900    5.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1169    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4438    2.1952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7855    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2181    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6099   10.6341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161    1.8139    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  2 16  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 16  1  0  0  0  0
M  END
>  <Mol_ID> (605)
558

>  <Formula> (605)
C27H25ClN6

>  <MolWeight> (605)
468.9806

>  <Item Name> (605)
Miransertib (ARQ 092)HCl

>  <Catalog Number> (605)
S8339

>  <Synonyms> (605)
Miransertib

>  <Target> (605)
Akt

>  <Form> (605)
hydrochloride

>  <URL> (605)
http://www.selleckchem.com/products/arq-092.html

>  <CAS Number> (605)
1313883-00-9

>  <ALogP> (605)
4.98

>  <HBA_Count> (605)
3

>  <HBD_Count> (605)
2

>  <Num_RotatableBonds> (605)
4

$$$$
