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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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

>  <CAS> (4)
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
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>  <Mol_ID> (6)
70

>  <Formula> (6)
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>  <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

$$$$
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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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M  END
>  <Mol_ID> (13)
233

>  <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
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (14)
280

>  <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
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (15)
283

>  <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
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (21)
321

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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
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (22)
325

>  <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
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (23)
331

>  <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
csChFnd80/04021914402D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (24)
352

>  <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
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (25)
353

>  <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
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (26)
434

>  <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
csChFnd80/04021914402D

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>  <Mol_ID> (27)
581

>  <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
csChFnd80/04021914402D

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>  <Mol_ID> (28)
704

>  <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
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131740-09-5

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http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

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Aurora Kinase

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1010085-13-8

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http://www.selleckchem.com/products/mk-5108-vx-689.html

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952021-60-2

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http://www.selleckchem.com/products/pf-477736.html

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M  END
>  <Mol_ID> (46)
1740

>  <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
csChFnd80/04021914402D

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 16  8  2  0  0  0  0
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M  END
>  <Mol_ID> (47)
1874

>  <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
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (48)
1901

>  <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
csChFnd80/04021914402D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (49)
2246

>  <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
csChFnd80/04021914402D

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315704-66-6

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http://www.selleckchem.com/products/ptc-209.html

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1285702-20-6

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

$$$$
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csChFnd80/04021914402D

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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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>  <Mol_ID> (68)
2740

>  <Formula> (68)
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
csChFnd80/04021914402D

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>  <Mol_ID> (69)
2742

>  <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
csChFnd80/04021914402D

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>  <Mol_ID> (70)
2744

>  <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
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (71)
2763

>  <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
csChFnd80/04021914402D

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>  <Mol_ID> (72)
2774

>  <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
csChFnd80/04021914402D

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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
csChFnd80/04021914402D

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>  <Mol_ID> (75)
2809

>  <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

$$$$
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csChFnd80/04021914402D

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>  <Cat> (76)
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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

>  <CAS> (77)
71203-35-5

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

$$$$
YK-4-279.cdx
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (78)
2863

>  <Formula> (78)
C17H13Cl2NO4

>  <MolWeight> (78)
366.19542

>  <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
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (79)
2866

>  <Formula> (79)
C13H11N3O2

>  <MolWeight> (79)
241.24534

>  <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
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (80)
2891

>  <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
csChFnd80/04021914402D

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M  CFW  17 B_NG_STER 1
M  END
>  <Mol_ID> (81)
2893

>  <Formula> (81)
C22H30O2S

>  <MolWeight> (81)
358.5374

>  <Cat> (81)
S7684

>  <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

$$$$
CCG-1423.cdx
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (82)
2899

>  <Formula> (82)
C18H13ClF6N2O3

>  <MolWeight> (82)
454.7508392

>  <Cat> (82)
S7719

>  <Name> (82)
CCG-1423

>  <Synonyms> (82)
N/A

>  <Target> (82)
Rho

>  <Form> (82)
Free Base

>  <CAS> (82)
285986-88-1

>  <URL> (82)
http://www.selleckchem.com/products/ccg-1423.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (83)
2925

>  <Formula> (83)
C24H30ClN7O2

>  <MolWeight> (83)
483.9937

>  <Cat> (83)
S1116

>  <Name> (83)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (83)
N/A

>  <Target> (83)
CDK

>  <Form> (83)
Hydrochloride

>  <CAS> (83)
827022-32-2, 571190-30-2 (free base)

>  <URL> (83)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/04021914402D

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>  <Mol_ID> (84)
2926

>  <Formula> (84)
C26H35N7O6S

>  <MolWeight> (84)
573.6644

>  <Cat> (84)
S1579

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

>  <Synonyms> (84)
N/A

>  <Target> (84)
CDK

>  <Form> (84)
Isethionate

>  <CAS> (84)
827022-33-3, 571190-30-2(free base)

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

$$$$
Ro-3306.cdx
csChFnd80/04021914402D

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>  <Mol_ID> (85)
2934

>  <Formula> (85)
C18H13N3OS2

>  <MolWeight> (85)
351.44532

>  <Cat> (85)
S7747

>  <Name> (85)
Ro-3306

>  <Synonyms> (85)
N/A

>  <Target> (85)
CDK

>  <Form> (85)
Free Base

>  <CAS> (85)
872573-93-8

>  <URL> (85)
http://www.selleckchem.com/products/ro-3306.html

$$$$
Purvalanol A.cdx
csChFnd80/04021914402D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8045    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  6  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (86)
2945

>  <Formula> (86)
C19H25ClN6O

>  <MolWeight> (86)
388.8944

>  <Cat> (86)
S7793

>  <Name> (86)
Purvalanol A

>  <Synonyms> (86)
N/A

>  <Target> (86)
CDK

>  <Form> (86)
Free Base

>  <CAS> (86)
212844-53-6

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

$$$$
KNK437.cdx
csChFnd80/04021914402D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    2.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0108    1.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3437    2.0880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484    3.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0184    3.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5737    0.3299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4735    1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7544    1.8265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (87)
2954

>  <Formula> (87)
C13H11NO4

>  <MolWeight> (87)
245.23074

>  <Cat> (87)
S7750

>  <Name> (87)
KNK437

>  <Synonyms> (87)
N/A

>  <Target> (87)
HSP (e.g. HSP90)

>  <Form> (87)
Free Base

>  <CAS> (87)
218924-25-5

>  <URL> (87)
http://www.selleckchem.com/products/knk437.html

$$$$
AT7519 HCl.cdx
csChFnd80/04021914402D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6447    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.6447    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4963    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0884    1.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8239    0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0746    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7431    2.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6034    5.4526    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
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (88)
2959

>  <Formula> (88)
C16H18Cl3N5O2

>  <MolWeight> (88)
418.70542

>  <Cat> (88)
S7808

>  <Name> (88)
AT7519 HCl

>  <Synonyms> (88)
N/A

>  <Target> (88)
CDK

>  <Form> (88)
Hydrochloride

>  <CAS> (88)
902135-91-5

>  <URL> (88)
http://www.selleckchem.com/products/at7519-hcl.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/04021914402D

 25 24  0  0  0  0  0  0  0  0999 V2000
    9.9244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1369    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5617    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5617    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8231    6.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1346    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2617    8.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 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 21  1  0  0  0  0
 21 15  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
>  <Mol_ID> (89)
3090

>  <Formula> (89)
C15H23ClFN3O4S

>  <MolWeight> (89)
395.8772232

>  <Cat> (89)
S7995

>  <Name> (89)
Ripasudil (K-115)

>  <Synonyms> (89)
N/A

>  <Target> (89)
ROCK

>  <Form> (89)
Hydrochloride dihydrate

>  <CAS> (89)
887375-67-9

>  <URL> (89)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
K03861.cdx
csChFnd80/04021914402D

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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436133-68-5

>  <URL> (94)
http://www.selleckchem.com/products/kobe0065.html

$$$$
RK-33.cdx
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M  END
>  <Mol_ID> (95)
3263

>  <Formula> (95)
C23H20N6O3

>  <MolWeight> (95)
428.4433

>  <Cat> (95)
S8246

>  <Name> (95)
RK-33

>  <Synonyms> (95)
N/A

>  <Target> (95)
DNA/RNA Synthesis

>  <Form> (95)
Free Base

>  <CAS> (95)
1070773-09-9

>  <URL> (95)
http://www.selleckchem.com/products/rk-33.html

$$$$
GSK269962.cdx
csChFnd80/04021914402D

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>  <Mol_ID> (96)
3299

>  <Formula> (96)
C29H31ClN8O5

>  <MolWeight> (96)
607.06004

>  <Cat> (96)
S7687

>  <Name> (96)
GSK269962 HCl

>  <Synonyms> (96)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (96)
ROCK

>  <Form> (96)
hydrochloride

>  <CAS> (96)
850664-21-0(free base)

>  <URL> (96)
http://www.selleckchem.com/products/gsk269962.html

$$$$
Y-39983 HCl.cdx
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (97)
3325

>  <Formula> (97)
C16H18Cl2N4O

>  <MolWeight> (97)
353.24632

>  <Cat> (97)
S7935

>  <Name> (97)
Y-39983 HCl

>  <Synonyms> (97)
Y-33075 HCl

>  <Target> (97)
ROCK

>  <Form> (97)
dihydrochloride

>  <CAS> (97)
173897-44-4

>  <URL> (97)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/04021914402D

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>  <Mol_ID> (98)
3329

>  <Formula> (98)
C21H20N2O3S

>  <MolWeight> (98)
380.4601

>  <Cat> (98)
S8448

>  <Name> (98)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (98)
N/A

>  <Target> (98)
ROCK

>  <Form> (98)
Free Base

>  <CAS> (98)
557782-81-7

>  <URL> (98)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
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1604810-83-4(free base)

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1619903-54-6

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http://www.selleckchem.com/products/ly2857785.html

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Hydroxyfasudil (HA-1100)HCl

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N/A

>  <Target> (102)
ROCK

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hydrochloride

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

>  <URL> (102)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

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10074-G5

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N/A

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c-Myc

>  <Form> (103)
Free Base

>  <CAS> (103)
413611-93-5

>  <URL> (103)
http://www.selleckchem.com/products/10074-g5.html

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>  <Name> (104)
GSK180736A

>  <Synonyms> (104)
N/A

>  <Target> (104)
ROCK

>  <Form> (104)
Free Base

>  <CAS> (104)
817194-38-0

>  <URL> (104)
http://www.selleckchem.com/products/gsk180736a.html

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PLK

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1338806-73-7

>  <URL> (105)
http://www.selleckchem.com/products/cfi-400945.html

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ARS-853.cdx
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>  <CAS> (107)
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>  <URL> (107)
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KRpep-2d

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>  <Target> (108)
K-Ras(G12D)

>  <Form> (108)
Free base

>  <URL> (108)
http://www.selleckchem.com/products/kppep-2d.html

$$$$
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Chk2 Inhibitor II (BML-277)

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N/A

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Chk2

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free base

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516480-79-8

>  <URL> (109)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
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>  <Cat> (110)
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CCG-203971

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>  <Target> (110)
SRE.L

>  <Form> (110)
free base

>  <CAS> (110)
1443437-74-8

>  <URL> (110)
http://www.selleckchem.com/products/ccg-203971.html

$$$$
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M  END
>  <Mol_ID> (111)
3597

>  <Formula> (111)
C19H12F5N5

>  <MolWeight> (111)
405.324096

>  <Cat> (111)
S8662

>  <Name> (111)
PTC-028

>  <Synonyms> (111)
N/A

>  <Target> (111)
BMI-1

>  <Form> (111)
free base

>  <CAS> (111)
1782970-28-8

>  <URL> (111)
http://www.selleckchem.com/products/ptc-028.html

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/04021914402D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (112)
3714

>  <Formula> (112)
C18H13BrN2O4S2

>  <MolWeight> (112)
465.34082

>  <Cat> (112)
S8652

>  <Name> (112)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (112)
N/A

>  <Target> (112)
CDK

>  <CAS> (112)
432001-69-9

>  <URL> (112)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
SNS-314.cdx
csChFnd80/04021914402D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (113)
3715

>  <Formula> (113)
C18H15ClN6OS2

>  <MolWeight> (113)
430.9343

>  <Cat> (113)
S8699

>  <Name> (113)
SNS-314 Mesylate

>  <Synonyms> (113)
N/A

>  <Target> (113)
Aurora Kinase

>  <CAS> (113)
1057249-41-8

>  <URL> (113)
http://selleckchem.com/products/sns-314.html

$$$$
S5316 NU2058.cdx
csChFnd80/04021914402D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (114)
3814

>  <Formula> (114)
C12H17N5O

>  <MolWeight> (114)
247.29628

>  <Cat> (114)
S5316

>  <Name> (114)
NU2058

>  <Synonyms> (114)
O(6)-Cyclohexylmethylguanine

>  <Target> (114)
CDK

>  <Form> (114)
free base

>  <CAS> (114)
161058-83-9

>  <URL> (114)
http://selleckchem.com/products/nu2058.html

$$$$
S9009 23-Hydroxybetulinic acid.cdx
csChFnd80/04021914402D

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>  <Mol_ID> (115)
4637

>  <Formula> (115)
C30H48O4

>  <MolWeight> (115)
472.69972

>  <Cat> (115)
S9009

>  <Name> (115)
23-Hydroxybetulinic acid

>  <Form> (115)
free base

>  <CAS> (115)
85999-40-2

$$$$
S5716 Abemaciclib.cdx
csChFnd80/04021914402D

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M  END
>  <Mol_ID> (116)
4710

>  <Formula> (116)
C27H32F2N8

>  <MolWeight> (116)
506.5933864

>  <Cat> (116)
S5716

>  <Name> (116)
Abemaciclib

>  <Synonyms> (116)
LY2835219

>  <Target> (116)
CDK

>  <Form> (116)
free base

>  <CAS> (116)
1231929-97-7 

>  <URL> (116)
http://selleckchem.com/products/abemaciclib.html

$$$$
