untitled.cdx
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N/A 

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Aurora Kinase

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Free Base

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639089-54-6

>  <URL> (1)
http://www.selleckchem.com/products/VX-680(MK-0457).html

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csChFnd80/10251911082D

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Y-27632 2HCl

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N/A

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ROCK

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Dihydrochloride

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

>  <URL> (2)
http://www.selleckchem.com/products/Y-27632.html

$$$$
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>  <Mol_ID> (3)
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C25H15ClF2N4O2

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MLN8054

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N/A

>  <Target> (3)
Aurora Kinase

>  <Form> (3)
Free Base

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869363-13-3

>  <URL> (3)
http://www.selleckchem.com/products/MLN8054.html

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Aurora Kinase

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Free Base

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331771-20-1

>  <URL> (4)
http://www.selleckchem.com/products/ZM-447439.html

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>  <Mol_ID> (5)
69

>  <Formula> (5)
C26H30N6O3

>  <MolWeight> (5)
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>  <Cat> (5)
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>  <Name> (5)
Danusertib (PHA-739358)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (5)
Free Base

>  <CAS> (5)
827318-97-8

>  <URL> (5)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
untitled.cdx
csChFnd80/10251911082D

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>  <Mol_ID> (6)
70

>  <Formula> (6)
C28H39N7O3

>  <MolWeight> (6)
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>  <Cat> (6)
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>  <Name> (6)
BI 2536

>  <Synonyms> (6)
N/A

>  <Target> (6)
PLK

>  <Form> (6)
Free Base

>  <CAS> (6)
755038-02-9

>  <URL> (6)
http://www.selleckchem.com/products/BI-2536.html

$$$$
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>  <Mol_ID> (7)
79

>  <Formula> (7)
C27H20ClFN4O4

>  <MolWeight> (7)
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>  <Cat> (7)
S1133

>  <Name> (7)
MLN8237 (Alisertib)

>  <Synonyms> (7)
Alisertib

>  <Target> (7)
Aurora Kinase

>  <Form> (7)
Free Base

>  <CAS> (7)
1028486-01-2

>  <URL> (7)
http://www.selleckchem.com/products/MLN8237.html

$$$$
untitled.cdx
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722544-51-6

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186692-46-6 

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693228-63-6

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  2  9  1  0  0  0  0
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  1 13  1  0  0  0  0
 13 14  2  0  0  0  0
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M  END
>  <Mol_ID> (13)
232

>  <Formula> (13)
C21H24NNaO8S

>  <MolWeight> (13)
473.47193

>  <Cat> (13)
S1362

>  <Name> (13)
Rigosertib (ON-01910)

>  <Synonyms> (13)
ON-01910

>  <Target> (13)
PLK

>  <Form> (13)
Sodium Salt

>  <CAS> (13)
1225497-78-8

>  <URL> (13)
http://www.selleckchem.com/products/ON-01910.html

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/10251911082D

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M  END
>  <Mol_ID> (14)
279

>  <Formula> (14)
C31H31ClFN7O2

>  <MolWeight> (14)
588.0749432

>  <Cat> (14)
S1451

>  <Name> (14)
Aurora A Inhibitor I

>  <Synonyms> (14)
N/A

>  <Target> (14)
Aurora Kinase

>  <Form> (14)
Free Base

>  <CAS> (14)
1158838-45-9

>  <URL> (14)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
csChFnd80/10251911082D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (15)
282

>  <Formula> (15)
C28H35N7O2

>  <MolWeight> (15)
501.6232

>  <Cat> (15)
S1454

>  <Name> (15)
PHA-680632

>  <Synonyms> (15)
N/A

>  <Target> (15)
Aurora Kinase

>  <Form> (15)
Free Base

>  <CAS> (15)
398493-79-3

>  <URL> (15)
http://www.selleckchem.com/products/PHA-680632.html

$$$$
Thiazovivin.cdx
csChFnd80/10251911082D

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M  END
>  <Mol_ID> (21)
320

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C27H32N8O2

>  <MolWeight> (21)
500.59538

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S1525

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MK-1775

>  <Synonyms> (21)
N/A 

>  <Target> (21)
Wee1

>  <Form> (21)
Free Base

>  <CAS> (21)
955365-80-7

>  <URL> (21)
http://www.selleckchem.com/products/MK-1775.html

$$$$
Hesperadin .cdx
csChFnd80/10251911082D

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M  END
>  <Mol_ID> (22)
324

>  <Formula> (22)
C29H32N4O3S

>  <MolWeight> (22)
516.65438

>  <Cat> (22)
S1529

>  <Name> (22)
Hesperadin

>  <Synonyms> (22)
N/A

>  <Target> (22)
Aurora Kinase

>  <Form> (22)
Free Base

>  <CAS> (22)
422513-13-1

>  <URL> (22)
http://www.selleckchem.com/products/Hesperadin.html

$$$$
AZD7762.cdx
csChFnd80/10251911082D

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M  END
>  <Mol_ID> (23)
330

>  <Formula> (23)
C17H19FN4O2S

>  <MolWeight> (23)
362.4217632

>  <Cat> (23)
S1532

>  <Name> (23)
AZD7762

>  <Synonyms> (23)
N/A

>  <Target> (23)
Chk

>  <Form> (23)
Free Base

>  <CAS> (23)
860352-01-8

>  <URL> (23)
http://www.selleckchem.com/products/AZD7762.html

$$$$
BS-181.cdx
csChFnd80/10251911082D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (24)
351

>  <Formula> (24)
C22H33ClN6

>  <MolWeight> (24)
416.99062

>  <Cat> (24)
S1572

>  <Name> (24)
BS-181 HCl

>  <Synonyms> (24)
N/A

>  <Target> (24)
CDK 

>  <Form> (24)
Hydrochloride

>  <CAS> (24)
1397219-81-6

>  <URL> (24)
http://www.selleckchem.com/products/BS-181.html

$$$$
Fasudil HCl.cdx
csChFnd80/10251911082D

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M  END
>  <Mol_ID> (25)
352

>  <Formula> (25)
C14H18ClN3O2S

>  <MolWeight> (25)
327.82962

>  <Cat> (25)
S1573

>  <Name> (25)
Fasudil HCl (HA-1077)

>  <Synonyms> (25)
AT-877 

>  <Target> (25)
ROCK

>  <Form> (25)
Hydrochloride

>  <CAS> (25)
105628-07-7

>  <URL> (25)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
IMURAN (azathioprine).cdx
csChFnd80/10251911082D

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M  END
>  <Mol_ID> (26)
433

>  <Formula> (26)
C9H7N7O2S

>  <MolWeight> (26)
277.26258

>  <Cat> (26)
S1721

>  <Name> (26)
Azathioprine (Azasan, Imuran)

>  <Synonyms> (26)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (26)
Rho

>  <Form> (26)
Free Base

>  <CAS> (26)
446-86-6

>  <URL> (26)
http://www.selleckchem.com/products/Azathioprine(Azasan).html

$$$$
GSK 461364.cdx
csChFnd80/10251911082D

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M  END
>  <Mol_ID> (27)
580

>  <Formula> (27)
C27H28F3N5O2S

>  <MolWeight> (27)
543.6037296

>  <Cat> (27)
S2193

>  <Name> (27)
GSK461364

>  <Synonyms> (27)
N/A

>  <Target> (27)
PLK

>  <Form> (27)
Free Base

>  <CAS> (27)
929095-18-1

>  <URL> (27)
http://www.selleckchem.com/products/GSK461364.html

$$$$
TAK-901.cdx
csChFnd80/10251911082D

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>  <Mol_ID> (28)
703

>  <Formula> (28)
C28H32N4O3S

>  <MolWeight> (28)
504.64368

>  <Cat> (28)
S2718

>  <Name> (28)
TAK-901

>  <Synonyms> (28)
N/A

>  <Target> (28)
Aurora Kinase

>  <Form> (28)
Free Base

>  <CAS> (28)
934541-31-8

>  <URL> (28)
http://www.selleckchem.com/products/tak-901.html

$$$$
AMG900.cdx
csChFnd80/10251911082D

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CDK

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131740-09-5

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779353-01-4

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Aurora Kinase

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1010085-13-8

>  <URL> (39)
http://www.selleckchem.com/products/mk-5108-vx-689.html

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952021-60-2

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csChFnd80/10251911082D

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M  END
>  <Mol_ID> (46)
1734

>  <Formula> (46)
C16H12O5

>  <MolWeight> (46)
284.26348

>  <Cat> (46)
S4743

>  <Name> (46)
Wogonin

>  <Synonyms> (46)
Vogonin

>  <Target> (46)
CDK

>  <Form> (46)
Free Base

>  <CAS> (46)
632-85-9

>  <URL> (46)
http://www.selleckchem.com/products/wogonin.html

$$$$
Colchicine.cdx
csChFnd80/10251911082D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 16  8  2  0  0  0  0
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M  END
>  <Mol_ID> (47)
1868

>  <Formula> (47)
C22H25NO6

>  <MolWeight> (47)
399.437

>  <Cat> (47)
S2284

>  <Name> (47)
Colchicine

>  <Synonyms> (47)
Colchineos, Colchisol, Colcin

>  <Target> (47)
Microtubule Associated inhibitor 

>  <Form> (47)
free base

>  <CAS> (47)
64-86-8

>  <URL> (47)
http://www.selleckchem.com/products/colchicine.html

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/10251911082D

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M  END
>  <Mol_ID> (48)
1894

>  <Formula> (48)
C13H13ClN2O

>  <MolWeight> (48)
248.70812

>  <Cat> (48)
S3817

>  <Name> (48)
Harmine hydrochloride

>  <Synonyms> (48)
telepathine hydrochloride

>  <Target> (48)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (48)
hydrochloride

>  <CAS> (48)
343-27-1

>  <URL> (48)
http://www.selleckchem.com/products/harmine-hydrochloride.html

$$$$
SNS-314 Mesylate.cdx
csChFnd80/10251911082D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (49)
2238

>  <Formula> (49)
C19H19ClN6O4S3

>  <MolWeight> (49)
527.03996

>  <Cat> (49)
S1154

>  <Name> (49)
SNS-314 Mesylate

>  <Synonyms> (49)
N/A

>  <Target> (49)
Aurora Kinase

>  <Form> (49)
Mesylate

>  <CAS> (49)
1146618-41-8

>  <URL> (49)
http://www.selleckchem.com/products/SNS-314.html

$$$$
NSC23766.cdx
csChFnd80/10251911082D

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1211441-98-3

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http://www.selleckchem.com/products/lee011.html

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315704-66-6

>  <URL> (65)
http://www.selleckchem.com/products/ptc-209.html

$$$$
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CDK

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1285702-20-6

>  <URL> (66)
http://www.selleckchem.com/products/ml167.html

$$$$
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csChFnd80/10251911082D

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>  <Mol_ID> (67)
2687

>  <Formula> (67)
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>  <MolWeight> (67)
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>  <Cat> (67)
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>  <Name> (67)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (67)
N/A

>  <Target> (67)
Rho

>  <Form> (67)
Free Base

>  <CAS> (67)
No

>  <URL> (67)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
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2726

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C17H14Br3N5OS

>  <MolWeight> (68)
576.10296

>  <Cat> (68)
S7539

>  <Name> (68)
PTC-209 HBr

>  <Synonyms> (68)
N/A

>  <Target> (68)
Others

>  <Form> (68)
Free Base

>  <CAS> (68)
1217022-63-3

>  <URL> (68)
http://www.selleckchem.com/products/ptc-209-hbr.html

$$$$
EHT 1864.cdx
csChFnd80/10251911082D

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>  <Mol_ID> (69)
2728

>  <Formula> (69)
C25H29Cl2F3N2O4S

>  <MolWeight> (69)
581.4749696

>  <Cat> (69)
S7482

>  <Name> (69)
EHT 1864 2HCl

>  <Synonyms> (69)
N/A

>  <Target> (69)
Rho

>  <Form> (69)
Dihydrochloride

>  <CAS> (69)
754240-09-0

>  <URL> (69)
http://www.selleckchem.com/products/eht-1864.html

$$$$
LDC000067.cdx
csChFnd80/10251911082D

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>  <Mol_ID> (70)
2730

>  <Formula> (70)
C18H18N4O3S

>  <MolWeight> (70)
370.42552

>  <Cat> (70)
S7461

>  <Name> (70)
LDC000067

>  <Synonyms> (70)
LDC067

>  <Target> (70)
CDK

>  <Form> (70)
Free Base

>  <CAS> (70)
1073485-20-7

>  <URL> (70)
http://www.selleckchem.com/products/ldc000067.html

$$$$
BMS863233.cdx
csChFnd80/10251911082D

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M  END
>  <Mol_ID> (71)
2749

>  <Formula> (71)
C14H13Cl2N3O2

>  <MolWeight> (71)
326.17792

>  <Cat> (71)
S7547

>  <Name> (71)
XL413 (BMS-863233)

>  <Synonyms> (71)
N/A

>  <Target> (71)
CDK

>  <Form> (71)
Free Base

>  <CAS> (71)
1169562-71-3

>  <URL> (71)
http://www.selleckchem.com/products/xl413-bms-863233.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/10251911082D

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>  <Mol_ID> (72)
2760

>  <Formula> (72)
C16H21ClIN3O4S

>  <MolWeight> (72)
513.77811

>  <Cat> (72)
S7332

>  <Name> (72)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (72)
N/A

>  <Target> (72)
Rho

>  <Form> (72)
Free Base

>  <CAS> (72)
1469337-91-4

>  <URL> (72)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
6H05.cdx
csChFnd80/10251911082D

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Rho

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Free Base

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No

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http://www.selleckchem.com/products/6h05.html

$$$$
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>  <Synonyms> (74)
N/A

>  <Target> (74)
PLK

>  <Form> (74)
Free Base

>  <CAS> (74)
1034616-18-6

>  <URL> (74)
http://www.selleckchem.com/products/nms-p937-nms1286937.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/10251911082D

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>  <Mol_ID> (75)
2794

>  <Formula> (75)
C15H17ClIN3O3

>  <MolWeight> (75)
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>  <Cat> (75)
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>  <Name> (75)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (75)
N/A

>  <Target> (75)
Rho

>  <Form> (75)
Free Base

>  <CAS> (75)
1469337-95-8

>  <URL> (75)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
Ro5203280.cdx
csChFnd80/10251911082D

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Ro3280

>  <Synonyms> (76)
Ro5203280

>  <Target> (76)
PLK

>  <Form> (76)
Free Base

>  <CAS> (76)
1062243-51-9

>  <URL> (76)
http://www.selleckchem.com/products/ro3280.html

$$$$
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C22H21N3O3S

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ML141

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CID-2950007

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Rho

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Free Base

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71203-35-5

>  <URL> (77)
http://www.selleckchem.com/products/ml141.html

$$$$
YK-4-279.cdx
csChFnd80/10251911082D

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>  <Mol_ID> (78)
2848

>  <Formula> (78)
C17H13Cl2NO4

>  <MolWeight> (78)
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>  <Cat> (78)
S7679

>  <Name> (78)
YK-4-279

>  <Synonyms> (78)
N/A

>  <Target> (78)
DNA/RNA Synthesis

>  <Form> (78)
Free Base

>  <CAS> (78)
1037184-44-3

>  <URL> (78)
http://www.selleckchem.com/products/yk-4-279.html

$$$$
SU 9516.cdx
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M  END
>  <Mol_ID> (79)
2851

>  <Formula> (79)
C13H11N3O2

>  <MolWeight> (79)
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>  <Cat> (79)
S7636

>  <Name> (79)
SU9516

>  <Synonyms> (79)
N/A

>  <Target> (79)
CDK

>  <Form> (79)
Free Base

>  <CAS> (79)
377090-84-1

>  <URL> (79)
http://www.selleckchem.com/products/su9516.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/10251911082D

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>  <Mol_ID> (80)
2875

>  <Formula> (80)
C24H28Cl2N2O4

>  <MolWeight> (80)
479.39612

>  <Cat> (80)
S7720

>  <Name> (80)
SBE 13 HCl

>  <Synonyms> (80)
N/A

>  <Target> (80)
PLK

>  <Form> (80)
Hydrochloride

>  <CAS> (80)
1052532-15-6

>  <URL> (80)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
Salirasib.cdx
csChFnd80/10251911082D

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M  CFW  17 B_NG_STER 1
M  END
>  <Mol_ID> (81)
2877

>  <Formula> (81)
C22H30O2S

>  <MolWeight> (81)
358.5374

>  <Cat> (81)
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>  <Name> (81)
Salirasib

>  <Synonyms> (81)
N/A

>  <Target> (81)
Rho

>  <Form> (81)
Free Base

>  <CAS> (81)
162520-00-5

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

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Rho

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Free Base

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285986-88-1

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http://www.selleckchem.com/products/ccg-1423.html

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BQU57.cdx
csChFnd80/10251911082D

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Rho

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Free Base

>  <CAS> (83)
1637739-82-2

>  <URL> (83)
http://www.selleckchem.com/products/bqu57.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/10251911082D

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2909

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C24H30ClN7O2

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>  <Name> (84)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (84)
N/A

>  <Target> (84)
CDK

>  <Form> (84)
Hydrochloride

>  <CAS> (84)
827022-32-2, 571190-30-2 (free base)

>  <URL> (84)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
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S1579

>  <Name> (85)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (85)
N/A

>  <Target> (85)
CDK

>  <Form> (85)
Isethionate

>  <CAS> (85)
827022-33-3, 571190-30-2(free base)

>  <URL> (85)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
Ro-3306.cdx
csChFnd80/10251911082D

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M  END
>  <Mol_ID> (86)
2918

>  <Formula> (86)
C18H13N3OS2

>  <MolWeight> (86)
351.44532

>  <Cat> (86)
S7747

>  <Name> (86)
Ro-3306

>  <Synonyms> (86)
N/A

>  <Target> (86)
CDK

>  <Form> (86)
Free Base

>  <CAS> (86)
872573-93-8

>  <URL> (86)
http://www.selleckchem.com/products/ro-3306.html

$$$$
Purvalanol A.cdx
csChFnd80/10251911082D

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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (87)
2929

>  <Formula> (87)
C19H25ClN6O

>  <MolWeight> (87)
388.8944

>  <Cat> (87)
S7793

>  <Name> (87)
Purvalanol A

>  <Synonyms> (87)
N/A

>  <Target> (87)
CDK

>  <Form> (87)
Free Base

>  <CAS> (87)
212844-53-6

>  <URL> (87)
http://www.selleckchem.com/products/purvalanol-a.html

$$$$
KNK437.cdx
csChFnd80/10251911082D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (88)
2938

>  <Formula> (88)
C13H11NO4

>  <MolWeight> (88)
245.23074

>  <Cat> (88)
S7750

>  <Name> (88)
KNK437

>  <Synonyms> (88)
N/A

>  <Target> (88)
HSP (e.g. HSP90)

>  <Form> (88)
Free Base

>  <CAS> (88)
218924-25-5

>  <URL> (88)
http://www.selleckchem.com/products/knk437.html

$$$$
AT7519 HCl.cdx
csChFnd80/10251911082D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (89)
2943

>  <Formula> (89)
C16H18Cl3N5O2

>  <MolWeight> (89)
418.70542

>  <Cat> (89)
S7808

>  <Name> (89)
AT7519 HCl

>  <Synonyms> (89)
N/A

>  <Target> (89)
CDK

>  <Form> (89)
Hydrochloride

>  <CAS> (89)
902135-91-5

>  <URL> (89)
http://www.selleckchem.com/products/at7519-hcl.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/10251911082D

 25 24  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 21 15  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
>  <Mol_ID> (90)
3074

>  <Formula> (90)
C15H23ClFN3O4S

>  <MolWeight> (90)
395.8772232

>  <Cat> (90)
S7995

>  <Name> (90)
Ripasudil (K-115)

>  <Synonyms> (90)
N/A

>  <Target> (90)
ROCK

>  <Form> (90)
Hydrochloride dihydrate

>  <CAS> (90)
887375-67-9

>  <URL> (90)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
K03861.cdx
csChFnd80/10251911082D

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 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 33 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 37  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (98)
3278

>  <Formula> (98)
C29H31ClN8O5

>  <MolWeight> (98)
607.06004

>  <Cat> (98)
S7687

>  <Name> (98)
GSK269962 HCl

>  <Synonyms> (98)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (98)
ROCK

>  <Form> (98)
hydrochloride

>  <CAS> (98)
850664-21-0(free base)

>  <URL> (98)
http://www.selleckchem.com/products/gsk269962.html

$$$$
Y-39983 HCl.cdx
csChFnd80/10251911082D

 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
  7  8  1  0  0  0  0
  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
 11 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 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> (99)
3304

>  <Formula> (99)
C16H18Cl2N4O

>  <MolWeight> (99)
353.24632

>  <Cat> (99)
S7935

>  <Name> (99)
Y-39983 HCl

>  <Synonyms> (99)
Y-33075 HCl

>  <Target> (99)
ROCK

>  <Form> (99)
dihydrochloride

>  <CAS> (99)
173897-44-4

>  <URL> (99)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/10251911082D

 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
    6.7366    6.3836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.6356    2.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1606    0.0733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1741    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  2  0  0  0  0
  8  9  1  0  0  0  0
  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
 12 13  1  0  0  0  0
 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
 19 20  1  0  0  0  0
 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> (100)
3308

>  <Formula> (100)
C21H20N2O3S

>  <MolWeight> (100)
380.4601

>  <Cat> (100)
S8448

>  <Name> (100)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (100)
N/A

>  <Target> (100)
ROCK

>  <Form> (100)
Free Base

>  <CAS> (100)
557782-81-7

>  <URL> (100)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
THZ1.cdx
csChFnd80/10251911082D

 43 45  0  0  0  0  0  0  0  0999 V2000
   19.0276   16.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6653   15.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6552   14.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0075   14.4904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3699   15.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3799   16.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3130   14.7556    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   22.7222   16.2050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7121   15.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3498   13.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3397   12.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6920   13.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0544   14.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0644   15.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9774   11.5205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.9673   10.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6050    9.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3196   10.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2941   12.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9871   12.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0604   10.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4127   10.5183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1752   11.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7397   12.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5656   12.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6388   10.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8862   10.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2527    8.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8903    7.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8803    6.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2326    6.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5949    8.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5192    5.1261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.1716    4.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1851    5.7515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8105    3.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4629    3.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1018    1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7542    1.3476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3931    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7677    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   30.5546    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   30.5546    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  2  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 27 21  1  0  0  0  0
 17 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 17  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  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
 39 41  1  0  0  0  0
M  END
>  <Mol_ID> (101)
3313

>  <Formula> (101)
C31H30Cl3N7O2

>  <MolWeight> (101)
638.9746

>  <Cat> (101)
S7549

>  <Name> (101)
THZ1 2HCl

>  <Synonyms> (101)
N/A

>  <Target> (101)
CDK

>  <Form> (101)
dihydrochloride

>  <CAS> (101)
1604810-83-4(free base)

>  <URL> (101)
http://www.selleckchem.com/products/thz1.html

$$$$
SAR-020106.cdx
csChFnd80/10251911082D

 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
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    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
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   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
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
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 18 19  1  0  0  0  0
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 22 23  1  0  0  0  0
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  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> (102)
3335

>  <Formula> (102)
C19H19ClN6O

>  <MolWeight> (102)
382.84676

>  <Cat> (102)
S7740

>  <Name> (102)
SAR-020106

>  <Synonyms> (102)
N/A

>  <Target> (102)
Chk

>  <Form> (102)
Free Base

>  <CAS> (102)
1184843-57-9

>  <URL> (102)
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155558-32-0 (HCl salt)

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1338806-73-7

>  <URL> (108)
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free base

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1629268-00-3

>  <URL> (109)
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>  <URL> (110)
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>  <Mol_ID> (111)
3414

>  <Formula> (111)
C18H17ClN4O

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>  <Cat> (111)
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MSC2530818

>  <Synonyms> (111)
N/A

>  <Target> (111)
CDK8

>  <Form> (111)
free base

>  <CAS> (111)
1883423-59-3

>  <URL> (111)
http://www.selleckchem.com/products/msc2530818.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/10251911082D

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>  <Mol_ID> (112)
3456

>  <Formula> (112)
C20H14ClN3O2

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363.79706

>  <Cat> (112)
S8632

>  <Name> (112)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (112)
N/A

>  <Target> (112)
Chk2

>  <Form> (112)
free base

>  <CAS> (112)
516480-79-8

>  <URL> (112)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
CCG-203971.cdx
csChFnd80/10251911082D

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>  <Mol_ID> (113)
3466

>  <Formula> (113)
C23H21ClN2O3

>  <MolWeight> (113)
408.87744

>  <Cat> (113)
S8469

>  <Name> (113)
CCG-203971

>  <Synonyms> (113)
N/A

>  <Target> (113)
SRE.L

>  <Form> (113)
free base

>  <CAS> (113)
1443437-74-8

>  <URL> (113)
http://www.selleckchem.com/products/ccg-203971.html

$$$$
PTC-028.cdx
csChFnd80/10251911082D

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>  <Mol_ID> (114)
3567

>  <Formula> (114)
C19H12F5N5

>  <MolWeight> (114)
405.324096

>  <Cat> (114)
S8662

>  <Name> (114)
PTC-028

>  <Synonyms> (114)
N/A

>  <Target> (114)
BMI-1

>  <Form> (114)
free base

>  <CAS> (114)
1782970-28-8

>  <URL> (114)
http://www.selleckchem.com/products/ptc-028.html

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/10251911082D

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>  <Mol_ID> (115)
3684

>  <Formula> (115)
C18H13BrN2O4S2

>  <MolWeight> (115)
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>  <Cat> (115)
S8652

>  <Name> (115)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (115)
N/A

>  <Target> (115)
CDK

>  <CAS> (115)
432001-69-9

>  <URL> (115)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
SNS-314.cdx
csChFnd80/10251911082D

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S8699

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SNS-314 Mesylate

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N/A

>  <Target> (116)
Aurora Kinase

>  <CAS> (116)
1057249-41-8

>  <URL> (116)
http://selleckchem.com/products/sns-314.html

$$$$
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csChFnd80/10251911082D

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O(6)-Cyclohexylmethylguanine

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CDK

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free base

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161058-83-9

>  <URL> (117)
http://selleckchem.com/products/nu2058.html

$$$$
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379.3397496

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CCT245737 

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N/A

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Chk

>  <Form> (118)
free base

>  <CAS> (118)
1489389-18-5

>  <URL> (118)
http://www.selleckchem.com/products/cct245737.html

$$$$
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>  <Name> (119)
23-Hydroxybetulinic acid

>  <Form> (119)
free base

>  <CAS> (119)
85999-40-2

$$$$
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    4.8496    5.5999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 10 13  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 12 17  1  0  0  0  0
  8 20  1  0  0  0  0
 13 21  1  0  0  0  0
  3 15  1  0  0  0  0
  4 22  1  0  0  0  0
 23 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 28  1  0  0  0  0
 23 28  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 36 37  1  0  0  0  0
 33 36  1  0  0  0  0
 29 30  1  0  0  0  0
 26 29  1  0  0  0  0
  7 23  1  0  0  0  0
M  END
>  <Mol_ID> (120)
4669

>  <Formula> (120)
C27H32F2N8

>  <MolWeight> (120)
506.5933864

>  <Cat> (120)
S5716

>  <Name> (120)
Abemaciclib

>  <Synonyms> (120)
LY2835219

>  <Target> (120)
CDK

>  <Form> (120)
free base

>  <CAS> (120)
1231929-97-7 

>  <URL> (120)
http://selleckchem.com/products/abemaciclib.html

$$$$
