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Linifanib (ABT-869)

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S1003

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AL-39324

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PDGFR, VEGFR

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Free Base

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796967-16-3

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untitled.cdx
csChFnd80/04261716412D

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Axitinib

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AG 013736

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VEGFR, PDGFR, c-Kit

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$$$$
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Saracatinib (AZD0530)

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Src, Bcr-Abl

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379231-04-6

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untitled.cdx

$$$$
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MEK

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606143-52-6

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Src

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$$$$
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Src, Bcr-Abl, c-Kit

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302962-49-8

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Dasatinib.cdx

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c-Kit, FGFR, Flt, VEGFR, PDGFR

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405169-16-6

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untitled.cdx
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11

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EGFR

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PDGFR, c-Kit, Bcr-Abl

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Imatinib Mesylate.cdx

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/04261716412D

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Lapatinib Ditosylate (Tykerb)

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GW-57201

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EGFR, HER2

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Ditosylat

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388082-77-7

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Lapatinib Ditosylate.cdx

$$$$
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csChFnd80/04261716412D

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AMG-706

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VEGFR, PDGFR, c-Kit

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857876-30-3

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Motesanib Diphosphate(AMG-706).cdx

$$$$
untitled.cdx
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15

>  <Formula> (15)
C28H22F3N7O

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529.5157896

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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

>  <CAS Number> (15)
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
csChFnd80/04261716412D

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>  <Mol_ID> (16)
16

>  <Formula> (16)
C21H24ClN7O2S

>  <MolWeight> (16)
473.97896

>  <Item Name> (16)
Pazopanib HCl

>  <Catalog Number> (16)
S1035

>  <Synonyms> (16)
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
csChFnd80/04261716412D

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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

>  <HBD_Count> (17)
4

>  <Num_RotatableBonds> (17)
7

>  <Name> (17)
untitled.cdx

$$$$
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csChFnd80/04261716412D

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>  <Mol_ID> (18)
18

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C19H16N4O3

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S1038

>  <Synonyms> (18)
N/A

>  <Target> (18)
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
csChFnd80/04261716412D

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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

$$$$

csChFnd80/04261716412D

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M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C28H24ClF3N4O6S

>  <MolWeight> (20)
637.0265696

>  <Item Name> (20)
Sorafenib (Nexavar)

>  <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

$$$$

csChFnd80/04261716412D

 38 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (21)
21

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C26H33FN4O7

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532.5612232

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Sunitinib Malate (Sutent)

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S1042

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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

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4

>  <HBD_Count> (21)
4

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10

$$$$
untitled.cdx
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>  <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

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4

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3

>  <Num_RotatableBonds> (22)
7

>  <Name> (22)
untitled.cdx

$$$$
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csChFnd80/04261716412D

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>  <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)
Dihydrochloric

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

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

>  <ALogP> (23)
1.871

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2

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2

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3

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

$$$$
untitled.cdx
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>  <Mol_ID> (24)
24

>  <Formula> (24)
C32H29N5O2

>  <MolWeight> (24)
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>  <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

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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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c-Kit, PDGFR, FGFR, FAK

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790299-79-5

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untitled.cdx

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>  <Mol_ID> (26)
26

>  <Formula> (26)
C23H27N7O3S2

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Pictilisib (GDC-0941)

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S1065

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N/A

>  <Target> (26)
PI3K

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Free Base

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http://www.selleckchem.com/products/GDC-0941.html

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957054-30-7

>  <ALogP> (26)
2.153

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6

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1

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untitled.cdx

$$$$
1.cdx
csChFnd80/04261716412D

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27

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$$$$
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658084-23-2

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untitled.cdx

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Brivanib (BMS-540215)

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S1084

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N/A

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VEGFR, FGFR

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Free Base

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

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649735-46-6

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3.481

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Brivanib.cdx

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34

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C21H17NO3S2

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S1092

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ATM

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Free Base

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http://www.selleckchem.com/products/KU-55933.html

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587871-26-9

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untitled.cdx

$$$$
untitled.cdx
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$$$$
untitled.cdx
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c-Met

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Aurora Kinase

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ZK222584

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VEGFR, c-Kit, Flt

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PLK

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755038-02-9

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c-Met

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untitled.cdx

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Everolimus.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (48)
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mTOR

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Everolimus.cdx

$$$$
mln8237.cdx
csChFnd80/04261716412D

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BMS-907351

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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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Bcr-Abl, JAK, Aurora Kinase

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Free Base

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

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896466-04-9

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AT9283.cdx

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Brivanib alaninate (BMS-582664)

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N/A

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VEGFR, FGFR

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649735-63-7

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JAK, EGFR

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55

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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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Raf

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EGFR, HER2

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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

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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
csChFnd80/04261716412D

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HDAC, EGFR, HER2

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S119401 CUDC-101.cdx

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csChFnd80/04261716412D

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N/A

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VEGFR, c-Kit, PDGFR

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AV-951.cdx

$$$$
OSI-930.cdx
csChFnd80/04261716412D

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   12.1033    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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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 10  5  1  0  0  0  0
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 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
csChFnd80/04261716412D

 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
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    0.0000    8.4318    0.0000 N   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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 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)
HCl

>  <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
csChFnd80/04261716412D

 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
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   14.5156    5.5903    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> (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
csChFnd80/04261716412D

 42 46  0  0  0  0  0  0  0  0999 V2000
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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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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

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ROCK

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sp600125.cdx

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CDK

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    1.2082    3.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
csChFnd80/04261716412D

 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
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    6.0580    3.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
csChFnd80/04261716412D

 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
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   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
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    5.8872    6.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   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
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  1  2  2  0  0  0  0
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  5  6  2  0  0  0  0
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  3  7  1  0  0  0  0
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 10  4  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 20  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
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 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
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 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
csChFnd80/04261716412D

 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
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    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
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 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
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 17 14  1  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

$$$$

csChFnd80/04261716412D

 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
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    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
csChFnd80/04261716412D

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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
csChFnd80/04261716412D

 20 23  0  0  0  0  0  0  0  0999 V2000
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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
csChFnd80/04261716412D

 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
csChFnd80/04261716412D

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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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EGFR

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132

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PI3K

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Free Base

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900185-01-5

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PIK 293.cdx

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JAK

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905586-69-8

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AZ 960.cdx

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HER2

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Mubritinib.cdx

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mTOR

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JAK

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Free Base

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1056634-68-4

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Asiatic acid.cdx

$$$$
Honokiol.cdx
csChFnd80/04261716412D

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C18H18O2

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Honokiol

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S2310

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N/A

>  <Target> (139)
Akt, MEK

>  <Form> (139)
Free Base

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

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

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Honokiol.cdx

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Chrysophanic acid.cdx
csChFnd80/04261716412D

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140

>  <Formula> (140)
C15H10O4

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254.2375

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Chrysophanic acid (Chrysophanol)

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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

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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
csChFnd80/04261716412D

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141

>  <Formula> (141)
C25H24N6O2

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440.49706

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PCI-32765 (Ibrutinib)

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Src

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Free Base

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PCI-32765.cdx

$$$$
TAK-901.cdx
csChFnd80/04261716412D

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142

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Aurora Kinase

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TAK-901.cdx

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$$$$
untitled.cdx
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p38 MAPK

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JAK

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Citrate

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540737-29-9

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CP-690550 citrate.cdx

$$$$
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PI3K

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870281-82-6

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BI 6727.cdx
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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

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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

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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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csChFnd80/04261716412D

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188

>  <Formula> (188)
C24H25ClFN5O2

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

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S2727

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N/A

>  <Target> (188)
EGFR

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

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5.055

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>  <Name> (188)
PF299804.cdx

$$$$
SB415286.cdx
csChFnd80/04261716412D

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AZ628.cdx

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N/A

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PI3K, mTOR

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http://www.selleckchem.com/products/nvp-bgt226.html

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1245537-68-1

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NVP-BGT226.cdx

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>  <Mol_ID> (202)
202

>  <Formula> (202)
C25H21N7O3

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PI3K

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>  <URL> (202)
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371942-69-7

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YM201636.cdx

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AG1024.cdx
csChFnd80/04261716412D

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IGF-1R

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65678-07-1

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csChFnd80/04261716412D

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>  <Mol_ID> (204)
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S2767

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3-MA

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PI3K

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5142-23-4

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3-Methyladenine.cdx

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c-Met

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ARQ-197.cdx

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PDK-1, IKK

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702675-74-9

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BX-795.cdx

$$$$
BX-912.cdx
csChFnd80/04261716412D

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BX-912.cdx

$$$$
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c-Met

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1185763-69-2

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NVP-BVU972.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

$$$$

csChFnd80/04261716412D

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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
csChFnd80/04261716412D

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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
csChFnd80/04261716412D

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>  <Mol_ID> (241)
241

>  <Formula> (241)
C18H22N2O

>  <MolWeight> (241)
282.38008

>  <Item Name> (241)
Tyrphostin 9 (SF 6847)

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S2895

>  <Synonyms> (241)
Tyrphostin AG 17, Malonaben, NSC 242557, RG-50872

>  <Target> (241)
EGFR

>  <Form> (241)
Free Base

>  <URL> (241)
http://www.selleckchem.com/products/tyrphostin-9-sf-6847.html

>  <CAS Number> (241)
10537-47-0

>  <ALogP> (241)
4.574

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0

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1

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3

>  <Name> (241)
Tyrphostin AG 17.cdx

$$$$
ZM323881 HCl.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (242)
242

>  <Formula> (242)
C22H19ClFN3O2

>  <MolWeight> (242)
411.8565632

>  <Item Name> (242)
ZM 323881 HCl

>  <Catalog Number> (242)
S2896

>  <Synonyms> (242)
N/A

>  <Target> (242)
VEGFR

>  <Form> (242)
HCl

>  <URL> (242)
http://www.selleckchem.com/products/zm-323881-hcl.html

>  <CAS Number> (242)
193000-39-4

>  <ALogP> (242)
5.876

>  <HBA_Count> (242)
3

>  <HBD_Count> (242)
2

>  <Num_RotatableBonds> (242)
5

>  <Name> (242)
ZM323881 HCl.cdx

$$$$
ZM306416.cdx
csChFnd80/04261716412D

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M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C16H13ClFN3O2

>  <MolWeight> (243)
333.7447232

>  <Item Name> (243)
ZM 306416

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S2897

>  <Synonyms> (243)
N/A

>  <Target> (243)
VEGFR

>  <Form> (243)
Free Base

>  <URL> (243)
http://www.selleckchem.com/products/zm-306416.html

>  <CAS Number> (243)
690206-97-4

>  <ALogP> (243)
4.314

>  <HBA_Count> (243)
4

>  <HBD_Count> (243)
1

>  <Num_RotatableBonds> (243)
4

>  <Name> (243)
ZM306416.cdx

$$$$
S-Ruxolitinib.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (244)
244

>  <Formula> (244)
C17H18N6

>  <MolWeight> (244)
306.36502

>  <Item Name> (244)
S-Ruxolitinib

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S2902

>  <Synonyms> (244)
N/A

>  <Target> (244)
JAK

>  <Form> (244)
Free Base

>  <URL> (244)
http://www.selleckchem.com/products/s-ruxolitinib.html

>  <CAS Number> (244)
941685-37-6

>  <ALogP> (244)
2.88

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3

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1

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4

>  <Name> (244)
S-Ruxolitinib.cdx

$$$$
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csChFnd80/04261716412D

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I¦ÊB/IKK

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$$$$
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$$$$
AG 18.cdx
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EGFR

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118409-57-7

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AG 18.cdx

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260

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421.49372

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OSI-906 (Linsitinib)

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IGF-1R

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867160-71-2

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OSI-906.cdx

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aicar.cdx
csChFnd80/04261716412D

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261

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258.23126

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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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Raf

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Cabozantinib malate

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S4001

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N/A

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VEGFR

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Malate

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http://www.selleckchem.com/products/cabozantinib-malate.html

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1140909-48-3

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3.331

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Cabozantinib£¨XL-184) malate.cdx

$$$$
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PF-04708671

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S6 Kinase

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Free Base

>  <URL> (269)
http://www.selleckchem.com/products/pf-4708671.html

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1255517-76-0

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PF-04708671.cdx

$$$$
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MEK

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305350-87-2

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SL327.cdx

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S1P Receptor

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p38 MAPK

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untitled.cdx
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Akt

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JAK

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MEK

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606143-89-9

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$$$$
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csChFnd80/04261716412D

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PDK-1

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GSK2334470.cdx

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TIC10.cdx
csChFnd80/04261716412D

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TRAIL-inducing Compound 10

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Akt

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Free Base

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41276-02-2

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TIC10.cdx

$$$$
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GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

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GSK-3

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667463-62-9

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BIO (6-bromoindirubin-3-oxime).cdx

$$$$
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AZD2858

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N/A

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GSK-3

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486424-20-8

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AZD2858.cdx

$$$$
ZM39923 HCl.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (302)
302

>  <Formula> (302)
C23H26ClNO

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>  <Item Name> (302)
ZM 39923 HCl

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S8004

>  <Synonyms> (302)
N/A

>  <Target> (302)
JAK

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HCl

>  <URL> (302)
http://www.selleckchem.com/products/zm-39923-hcl.html

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1021868-92-7

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5.424

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1

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0

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>  <Name> (302)
ZM39923 HCl.cdx

$$$$
CZC24832.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (303)
303

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C15H17FN6O2S

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>  <Target> (303)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (303)
Free Base

>  <URL> (303)
http://www.selleckchem.com/products/czc24832.html

>  <CAS Number> (303)
1159824-67-5

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>  <Name> (303)
CZC24832.cdx

$$$$
ETP-46464.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (304)
304

>  <Formula> (304)
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>  <MolWeight> (304)
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S8050

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mTOR

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>  <ALogP> (304)
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>  <Name> (304)
ETP-46464.cdx

$$$$
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csChFnd80/04261716412D

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M  END
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329

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C27H31NO4S

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PF-543

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N/A

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S1P Receptor

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Free Base

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http://www.selleckchem.com/products/pf-543.html

>  <CAS Number> (329)
1415562-82-1

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5.016

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3

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1

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>  <Name> (329)
PF-543 .cdx

$$$$
AZD1208.cdx
csChFnd80/04261716412D

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M  END
>  <Mol_ID> (330)
330

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C21H21N3O2S

>  <MolWeight> (330)
379.47534

>  <Item Name> (330)
AZD1208

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S7104

>  <Synonyms> (330)
N/A

>  <Target> (330)
Pim

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Free Base

>  <URL> (330)
http://www.selleckchem.com/products/azd-1208.html

>  <CAS Number> (330)
1204144-28-4

>  <ALogP> (330)
3.283

>  <HBA_Count> (330)
2

>  <HBD_Count> (330)
2

>  <Num_RotatableBonds> (330)
3

>  <Name> (330)
AZD1208.cdx

$$$$
CX-6258 HCl .cdx
csChFnd80/04261716412D

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M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
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CX-6258 HCl

>  <Catalog Number> (331)
S7041

>  <Synonyms> (331)
N/A

>  <Target> (331)
Pim

>  <Form> (331)
Salt

>  <URL> (331)
http://www.selleckchem.com/products/CX-6258.html

>  <CAS Number> (331)
1353859-00-3

>  <ALogP> (331)
4.416

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3

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1

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3

>  <Name> (331)
CX-6258 HCl .cdx

$$$$
EMD 1214063.cdx
csChFnd80/04261716412D

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M  END
>  <Mol_ID> (340)
340

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C52H79N5O12

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966.20996

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Zotarolimus (ABT-578)

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S7091

>  <Synonyms> (340)
N/A

>  <Target> (340)
mTOR

>  <Form> (340)
Free Base

>  <URL> (340)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

>  <CAS Number> (340)
221877-54-9

>  <ALogP> (340)
5.793

>  <HBA_Count> (340)
13

>  <HBD_Count> (340)
1

>  <Num_RotatableBonds> (340)
7

>  <Name> (340)
Zotarolimus.cdx

$$$$
WH-4-023.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (341)
341

>  <Formula> (341)
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>  <MolWeight> (341)
568.66604

>  <Item Name> (341)
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>  <Catalog Number> (341)
S7565

>  <Synonyms> (341)
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>  <Target> (341)
Src

>  <Form> (341)
Free Base

>  <URL> (341)
http://www.selleckchem.com/products/wh-4-023.html

>  <CAS Number> (341)
837422-57-8

>  <ALogP> (341)
6.843

>  <HBA_Count> (341)
6

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1

>  <Num_RotatableBonds> (341)
9

>  <Name> (341)
WH-4-023.cdx

$$$$
IM-12.cdx
csChFnd80/04261716412D

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GSK-3

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1129669-05-1

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IM-12.cdx

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/04261716412D

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EGFR

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BIBW2992 (Afatinib).cdx

$$$$
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JAK

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R-Ruxolitinib.cdx

$$$$
Temsirolimus.cdx
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M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C56H87NO16

>  <MolWeight> (345)
1030.28708

>  <Item Name> (345)
Temsirolimus (CCI-779, NSC 683864)

>  <Catalog Number> (345)
S1044

>  <Synonyms> (345)
N/A

>  <Target> (345)
mTOR

>  <Form> (345)
Free Base

>  <URL> (345)
http://www.selleckchem.com/products/Temsirolimus.html

>  <CAS Number> (345)
162635-04-3

>  <ALogP> (345)
6.039

>  <HBA_Count> (345)
12

>  <HBD_Count> (345)
3

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11

>  <Name> (345)
Temsirolimus.cdx

$$$$
GNE-9605.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (346)
346

>  <Formula> (346)
C17H20ClF4N7O

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>  <Item Name> (346)
GNE-9605

>  <Catalog Number> (346)
S7368

>  <Synonyms> (346)
N/A

>  <Target> (346)
LRRK2

>  <Form> (346)
Free Base

>  <URL> (346)
http://www.selleckchem.com/products/gne-9605.html

>  <CAS Number> (346)
1536200-31-3

>  <ALogP> (346)
2.715

>  <HBA_Count> (346)
4

>  <HBD_Count> (346)
2

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6

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GNE-9605.cdx

$$$$
filgotinib.cdx
csChFnd80/04261716412D

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M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C21H23N5O3S

>  <MolWeight> (347)
425.50402

>  <Item Name> (347)
Filgotinib£¨GLPG0643)

>  <Catalog Number> (347)
S7605

>  <Synonyms> (347)
N/A

>  <Target> (347)
JAK

>  <Form> (347)
Free Base

>  <URL> (347)
http://www.selleckchem.com/products/filgotinib.html

>  <CAS Number> (347)
1206161-97-8

>  <ALogP> (347)
2.461

>  <HBA_Count> (347)
5

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1

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5

>  <Name> (347)
filgotinib.cdx

$$$$
Anacardic Acid.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (348)
348

>  <Formula> (348)
C22H36O3

>  <MolWeight> (348)
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>  <Item Name> (348)
Anacardic Acid

>  <Catalog Number> (348)
S7582

>  <Synonyms> (348)
6-pentadecylsalicylic Acid

>  <Target> (348)
Histone Acetyltransferase

>  <Form> (348)
Free Base

>  <URL> (348)
http://www.selleckchem.com/products/anacardic-acid.html

>  <CAS Number> (348)
16611-84-0

>  <ALogP> (348)
8.09

>  <HBA_Count> (348)
1

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1

>  <Num_RotatableBonds> (348)
15

>  <Name> (348)
Anacardic Acid.cdx

$$$$
URMC-099.cdx
csChFnd80/04261716412D

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csChFnd80/04261716412D

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JNK

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M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C22H21N3O3S

>  <MolWeight> (366)
407.48544

>  <Item Name> (366)
ANA-12

>  <Catalog Number> (366)
S7745

>  <Synonyms> (366)
N/A

>  <Target> (366)
Trk receptor

>  <Form> (366)
Free Base

>  <URL> (366)
http://www.selleckchem.com/products/ana-12.html

>  <CAS Number> (366)
219766-25-3

>  <ALogP> (366)
3.088

>  <HBA_Count> (366)
3

>  <HBD_Count> (366)
3

>  <Num_RotatableBonds> (366)
4

>  <Name> (366)
ANA-12.cdx

$$$$
PF-2341066.cdx
csChFnd80/04261716412D

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M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C21H22Cl2FN5O

>  <MolWeight> (367)
450.3366832

>  <Item Name> (367)
Crizotinib (PF-02341066)

>  <Catalog Number> (367)
S1068

>  <Synonyms> (367)
N/A

>  <Target> (367)
c-Met, ALK

>  <URL> (367)
http://www.selleckchem.com/products/PF-2341066.html

>  <CAS Number> (367)
877399-52-5, 877399-53-6 (acetate)

>  <ALogP> (367)
3.693

>  <HBA_Count> (367)
3

>  <HBD_Count> (367)
2

>  <Num_RotatableBonds> (367)
5

>  <Name> (367)
PF-2341066.cdx

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/04261716412D

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M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C24H30ClN7O2

>  <MolWeight> (368)
483.9937

>  <Item Name> (368)
PD 0332991 (Palbociclib) HCl

>  <Catalog Number> (368)
S1116

>  <Synonyms> (368)
N/A

>  <Target> (368)
CDK

>  <URL> (368)
http://www.selleckchem.com/products/PD-0332991.html

>  <CAS Number> (368)
827022-32-2, 571190-30-2 (free base)

>  <ALogP> (368)
3.183

>  <HBA_Count> (368)
5

>  <HBD_Count> (368)
2

>  <Num_RotatableBonds> (368)
5

>  <Name> (368)
PD-0332991 hydrochloride.cdx

$$$$
FRAX597.cdx
csChFnd80/04261716412D

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M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C29H28ClN7OS

>  <MolWeight> (369)
558.09692

>  <Item Name> (369)
FRAX597

>  <Catalog Number> (369)
S7271

>  <Synonyms> (369)
N/A

>  <Target> (369)
PAK

>  <Form> (369)
Free Base

>  <URL> (369)
http://www.selleckchem.com/products/frax597.html

>  <CAS Number> (369)
1286739-19-2

>  <ALogP> (369)
5.166

>  <HBA_Count> (369)
4

>  <HBD_Count> (369)
1

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6

>  <Name> (369)
FRAX597.cdx

$$$$
Ro-3306.cdx
csChFnd80/04261716412D

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M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C18H13N3OS2

>  <MolWeight> (370)
351.44532

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Ro-3306

>  <Catalog Number> (370)
S7747

>  <Synonyms> (370)
N/A

>  <Target> (370)
CDK

>  <Form> (370)
Free Base

>  <URL> (370)
http://www.selleckchem.com/products/ro-3306.html

>  <CAS Number> (370)
872573-93-8

>  <ALogP> (370)
3.712

>  <HBA_Count> (370)
3

>  <HBD_Count> (370)
1

>  <Num_RotatableBonds> (370)
4

>  <Name> (370)
Ro-3306.cdx

$$$$
LDN-214117.cdx
csChFnd80/04261716412D

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    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> (371)
371

>  <Formula> (371)
C25H29N3O3

>  <MolWeight> (371)
419.51606

>  <Item Name> (371)
LDN-214117

>  <Catalog Number> (371)
S7627

>  <Synonyms> (371)
N/A

>  <Target> (371)
TGF-beta/Smad

>  <Form> (371)
Free Base

>  <URL> (371)
http://www.selleckchem.com/products/ldn-214117.html

>  <CAS Number> (371)
1627503-67-6

>  <ALogP> (371)
3.533

>  <HBA_Count> (371)
4

>  <HBD_Count> (371)
1

>  <Num_RotatableBonds> (371)
6

>  <Name> (371)
LDN-214117.cdx

$$$$
Purvalanol A.cdx
csChFnd80/04261716412D

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M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C19H25ClN6O

>  <MolWeight> (372)
388.8944

>  <Item Name> (372)
Purvalanol A

>  <Catalog Number> (372)
S7793

>  <Synonyms> (372)
N/A

>  <Target> (372)
CDK

>  <Form> (372)
Free Base

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

>  <CAS Number> (372)
212844-53-6

>  <ALogP> (372)
4.462

>  <HBA_Count> (372)
3

>  <HBD_Count> (372)
3

>  <Num_RotatableBonds> (372)
7

>  <Name> (372)
Purvalanol A.cdx

$$$$
AZD2932.cdx
csChFnd80/04261716412D

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M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C24H25N5O4

>  <MolWeight> (373)
447.4864

>  <Item Name> (373)
AZD2932

>  <Catalog Number> (373)
S7003

>  <Synonyms> (373)
N/A

>  <Target> (373)
PDGFR

>  <Form> (373)
Free Base

>  <URL> (373)
http://www.selleckchem.com/products/azd2932.html

>  <CAS Number> (373)
883986-34-3

>  <ALogP> (373)
3.65

>  <HBA_Count> (373)
7

>  <HBD_Count> (373)
1

>  <Num_RotatableBonds> (373)
8

>  <Name> (373)
AZD2932.cdx

$$$$
ERK5-IN-1.cdx
csChFnd80/04261716412D

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http://www.selleckchem.com/products/hth-01-015.html

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1613724-42-7

>  <ALogP> (377)
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
csChFnd80/04261716412D

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378

>  <Formula> (378)
C21H21F3IN3O2

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>  <Item Name> (378)
Cobimetinib (GDC-0973, RG7420)

>  <Catalog Number> (378)
S8041

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XL518

>  <Target> (378)
MEK

>  <Form> (378)
Free Base

>  <URL> (378)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

>  <CAS Number> (378)
934660-93-2

>  <ALogP> (378)
3.701

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GDC-0973(XL518,RG7420.cdx

$$$$
BVD-523.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (379)
379

>  <Formula> (379)
C21H22Cl2N4O2

>  <MolWeight> (379)
433.33098

>  <Item Name> (379)
Ulixertinib (BVD-523, VRT752271)

>  <Catalog Number> (379)
S7854

>  <Synonyms> (379)
N/A

>  <Target> (379)
ERK

>  <Form> (379)
Free Base

>  <URL> (379)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

>  <CAS Number> (379)
869886-67-9

>  <ALogP> (379)
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4

>  <Num_RotatableBonds> (379)
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>  <Name> (379)
BVD-523.cdx

$$$$
KN-93 H3PO4.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (380)
380

>  <Formula> (380)
C26H32ClN2O8PS

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>  <Item Name> (380)
KN-93 Phosphate

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>  <Synonyms> (380)
N/A

>  <Target> (380)
CaMK

>  <Form> (380)
Free Base

>  <URL> (380)
http://www.selleckchem.com/products/kn-93-phosphate.html

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KN-93 H3PO4.cdx

$$$$
ONO-4059.cdx
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M  END
>  <Mol_ID> (403)
403

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C18H32ClN3O8P2

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Chloroquine Phosphate

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S4157

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N/A

>  <Target> (403)
Others

>  <Form> (403)
Phosphate

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

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50-63-5

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3.408

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1

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1

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Chloroquine phosphate.cdx

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/04261716412D

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404

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C24H27Cl2N5O

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Dorsomorphin (Compound C) 2HCl

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S7306

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BML-275,Compound C

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AMPK

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Dihydrochloric

>  <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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4

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0

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6

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

$$$$
ASP3026   structure.cdx
csChFnd80/04261716412D

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405

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C29H40N8O3S

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ALK

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1097917-15-1

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ASP3026   structure.cdx

$$$$
LM-3334 VX-509.cdx
csChFnd80/04261716412D

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406

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Decernotinib (VX-509)

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N/A

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JAK

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Free Base

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LM-3334 VX-509.cdx

$$$$
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mTOR

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S6 Kinase

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JAK

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Free Base

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Oclacitinib maleate.cdx

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csChFnd80/04261716412D

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417

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Raf

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1096708-71-2

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MLN2480.cdx

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BMS-582949.cdx
csChFnd80/04261716412D

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csChFnd80/04261716412D

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VEGFR

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>  <MolWeight> (425)
463.4642832

>  <Item Name> (425)
AMG 337

>  <Catalog Number> (425)
S8167

>  <Synonyms> (425)
N/A

>  <Target> (425)
c-Met

>  <Form> (425)
Free Base

>  <URL> (425)
http://www.selleckchem.com/products/amg-337.html

>  <CAS Number> (425)
1173699-31-4

>  <ALogP> (425)
1.188

>  <HBA_Count> (425)
7

>  <HBD_Count> (425)
0

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7

>  <Name> (425)
AMG337.cdx

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/04261716412D

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M  END
>  <Mol_ID> (426)
427

>  <Formula> (426)
C26H26N6O2S

>  <MolWeight> (426)
486.58864

>  <Item Name> (426)
Olmutinib (HM61713, BI 1482694)

>  <Catalog Number> (426)
S8294

>  <Synonyms> (426)
BI 1482694, HM61713, HM71224

>  <Target> (426)
EGFR

>  <Form> (426)
Free Base

>  <URL> (426)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

>  <CAS Number> (426)
1353550-13-6

>  <ALogP> (426)
5.449

>  <HBA_Count> (426)
4

>  <HBD_Count> (426)
2

>  <Num_RotatableBonds> (426)
7

>  <Name> (426)
Olmutinib (HM61713, BI 1482694).cdx

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (427)
428

>  <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
csChFnd80/04261716412D

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>  <Mol_ID> (428)
429

>  <Formula> (428)
C23H26N4O3

>  <MolWeight> (428)
406.47754

>  <Item Name> (428)
LY3023414

>  <Catalog Number> (428)
S8322

>  <Synonyms> (428)
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

>  <HBA_Count> (428)
4

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0

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5

>  <Name> (428)
LY3023414.cdx

$$$$
PHA-767491.cdx
csChFnd80/04261716412D

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>  <Mol_ID> (429)
430

>  <Formula> (429)
C12H12ClN3O

>  <MolWeight> (429)
249.69618

>  <Item Name> (429)
PHA-767491

>  <Catalog Number> (429)
S2742

>  <Synonyms> (429)
N/A
CAY10572

>  <Target> (429)
CDK

>  <Form> (429)
hydrochloride

>  <URL> (429)
http://www.selleckchem.com/products/pha-767491.html
767491.html

>  <CAS Number> (429)
845714-00-3942425-68-5

>  <ALogP> (429)
1.252

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2

>  <HBD_Count> (429)
2

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1

$$$$
