Molecule
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (1)
2

>  <Formula> (1)
C42H45ClN6O5S2

>  <MolWeight> (1)
813.4269

>  <Item Name> (1)
ABT-737

>  <Catalog Number> (1)
S1002

>  <Synonyms> (1)
N/A

>  <Target> (1)
Bcl-2

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/ABT-737.html

>  <CAS Number> (1)
852808-04-9

>  <ALogP> (1)
8.198

>  <HBA_Count> (1)
3

>  <HBD_Count> (1)
2

>  <Num_RotatableBonds> (1)
16

$$$$
1.cdx
csChFnd80/12301616082D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2)
25

>  <Formula> (2)
C19H16N4O3

>  <MolWeight> (2)
348.35534

>  <Item Name> (2)
PI-103

>  <Catalog Number> (2)
S1038

>  <Synonyms> (2)
N/A

>  <Target> (2)
DNA-PK, PI3K, mTOR

>  <Form> (2)
Free Base

>  <URL> (2)
http://www.selleckchem.com/products/PI-103.html

>  <CAS Number> (2)
371935-74-9

>  <ALogP> (2)
2.798

>  <HBA_Count> (2)
5

>  <HBD_Count> (2)
1

>  <Num_RotatableBonds> (2)
2

>  <Name> (2)
1.cdx

$$$$
RAPAMYCIN.cdx
csChFnd80/12301616082D

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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  6  0  0  0
  2  8  1  1  0  0  0
  8  9  1  0  0  0  0
  4 10  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  1  6  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  6  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 17 24  1  0  0  0  0
 25 24  1  1  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 25  1  0  0  0  0
 31 32  1  0  0  0  0
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 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 35  1  0  0  0  0
 35 42  1  1  0  0  0
 37 43  1  1  0  0  0
 40 44  1  6  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 46 49  1  0  0  0  0
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 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  1  0  0  0
 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 23 58  1  0  0  0  0
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 58 60  1  6  0  0  0
 60 61  1  0  0  0  0
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 53 63  1  6  0  0  0
 45 64  1  6  0  0  0
 64 65  1  0  0  0  0
M  END
>  <Mol_ID> (3)
27

>  <Formula> (3)
C51H79NO13

>  <MolWeight> (3)
914.17186

>  <Item Name> (3)
Rapamycin (Sirolimus)

>  <Catalog Number> (3)
S1039

>  <Synonyms> (3)
N/A

>  <Target> (3)
mTOR

>  <Form> (3)
Free Base

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

>  <CAS Number> (3)
53123-88-9

>  <ALogP> (3)
6.295

>  <HBA_Count> (3)
10

>  <HBD_Count> (3)
2

>  <Num_RotatableBonds> (3)
6

>  <Name> (3)
RAPAMYCIN.cdx

$$$$
Trichostatin A.cdx
csChFnd80/12301616082D

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    2.4249    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6415    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    3.5049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4955    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    5.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 10 18  2  0  0  0  0
 13 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 11 22  1  1  0  0  0
M  END
>  <Mol_ID> (4)
30

>  <Formula> (4)
C17H22N2O3

>  <MolWeight> (4)
302.36818

>  <Item Name> (4)
Trichostatin A (TSA)

>  <Catalog Number> (4)
S1045

>  <Synonyms> (4)
TSA

>  <Target> (4)
HDAC

>  <Form> (4)
Free Base

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

>  <CAS Number> (4)
58880-19-6

>  <ALogP> (4)
2.772

>  <HBA_Count> (4)
2

>  <HBD_Count> (4)
1

>  <Num_RotatableBonds> (4)
6

>  <Name> (4)
Trichostatin A.cdx

$$$$
vorinostat.cdx
csChFnd80/12301616082D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 10 11  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (5)
32

>  <Formula> (5)
C14H20N2O3

>  <MolWeight> (5)
264.3202

>  <Item Name> (5)
Vorinostat (SAHA)

>  <Catalog Number> (5)
S1047

>  <Synonyms> (5)
Zolinza, MK-0683

>  <Target> (5)
HDAC

>  <Form> (5)
Free Base

>  <URL> (5)
http://www.selleckchem.com/products/Vorinostat-(SAHA).html

>  <CAS Number> (5)
149647-78-9

>  <ALogP> (5)
2.005

>  <HBA_Count> (5)
2

>  <HBD_Count> (5)
2

>  <Num_RotatableBonds> (5)
8

>  <Name> (5)
vorinostat.cdx

$$$$
untitled.cdx
csChFnd80/12301616082D

 33 37  0  0  0  0  0  0  0  0999 V2000
    5.9377    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1502    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  1  7  1  0  0  0  0
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  3  9  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 20  9  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 25 21  2  0  0  0  0
 18 26  1  0  0  0  0
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 32 30  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
>  <Mol_ID> (6)
33

>  <Formula> (6)
C23H28N8OS

>  <MolWeight> (6)
464.58642

>  <Item Name> (6)
VX-680 (MK-0457, Tozasertib)

>  <Catalog Number> (6)
S1048

>  <Synonyms> (6)
N/A

>  <Target> (6)
Aurora Kinase

>  <Form> (6)
Free Base

>  <URL> (6)
http://www.selleckchem.com/products/VX-680(MK-0457).html

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

>  <ALogP> (6)
4.445

>  <HBA_Count> (6)
4

>  <HBD_Count> (6)
3

>  <Num_RotatableBonds> (6)
7

>  <Name> (6)
untitled.cdx

$$$$
Y-27632 2HCL.cdx
csChFnd80/12301616082D

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   10.0971    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.6971    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  1  1  0  0  0
  4 16  1  0  0  0  0
M  END
>  <Mol_ID> (7)
34

>  <Formula> (7)
C14H23Cl2N3O

>  <MolWeight> (7)
320.25792

>  <Item Name> (7)
Y-27632 2HCl

>  <Catalog Number> (7)
S1049

>  <Synonyms> (7)
N/A

>  <Target> (7)
ROCK

>  <Form> (7)
Dihydrochloric

>  <URL> (7)
http://www.selleckchem.com/products/Y-27632.html

>  <CAS Number> (7)
129830-38-2

>  <ALogP> (7)
1.871

>  <HBA_Count> (7)
2

>  <HBD_Count> (7)
2

>  <Num_RotatableBonds> (7)
3

>  <Name> (7)
Y-27632 2HCL.cdx

$$$$
untitled.cdx
csChFnd80/12301616082D

 28 30  0  0  0  0  0  0  0  0999 V2000
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HDAC

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untitled.cdx

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C21H23N3O4S

>  <MolWeight> (9)
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>  <Item Name> (9)
Obatoclax mesylate (GX15-070)

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>  <Synonyms> (9)
N/A

>  <Target> (9)
Bcl-2

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Mesylate

>  <URL> (9)
http://www.selleckchem.com/products/Obatoclax-Mesylate.html

>  <CAS Number> (9)
803712-79-0

>  <ALogP> (9)
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1.cdx

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nutlin-3.cdx

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HDAC

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PI3K

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

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Free Base

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HDAC

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Sirtuin

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mln8237.cdx
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Aurora Kinase

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Bcr-Abl, JAK, Aurora Kinase

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AT9283.cdx

$$$$
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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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untitled.cdx

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Microtubule Associated

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$$$$
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HDAC, EGFR, HER2

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1012054-59-9

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S119401 CUDC-101.cdx

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
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Doxorubicin (Adriamycin)

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S1208

>  <Synonyms> (30)
N/A

>  <Target> (30)
Topoisomerase

>  <Form> (30)
Hydrochloride

>  <URL> (30)
http://www.selleckchem.com/products/Adriamycin.html

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25316-40-9

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0.338

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Adriamycin (Doxorubicin Hydrochloride).cdx

$$$$
KU-0063794.cdx
csChFnd80/12301616082D

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mTOR

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Free Base

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KU-0063794.cdx

$$$$
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csChFnd80/12301616082D

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HIF

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Free Base

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362-07-2

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2-Methoxyestradiol.cdx

$$$$
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Temozolomide

>  <Catalog Number> (33)
S1237

>  <Synonyms> (33)
Methazolastone, Temodar, Temodal

>  <Target> (33)
Others

>  <Form> (33)
Free Base

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

>  <CAS Number> (33)
85622-93-1

>  <ALogP> (33)
0.052

>  <HBA_Count> (33)
5

>  <HBD_Count> (33)
1

>  <Num_RotatableBonds> (33)
1

>  <Name> (33)
Methazolastone (Temozolomide).cdx

$$$$
JNJ-7706621.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (34)
156

>  <Formula> (34)
C15H12F2N6O3S

>  <MolWeight> (34)
394.3559864

>  <Item Name> (34)
JNJ-7706621

>  <Catalog Number> (34)
S1249

>  <Synonyms> (34)
N/A

>  <Target> (34)
CDK, Aurora Kinase

>  <Form> (34)
Free Base

>  <URL> (34)
http://www.selleckchem.com/products/JNJ-7706621.html

>  <CAS Number> (34)
443797-96-4

>  <ALogP> (34)
2.226

>  <HBA_Count> (34)
5

>  <HBD_Count> (34)
3

>  <Num_RotatableBonds> (34)
4

>  <Name> (34)
JNJ-7706621.cdx

$$$$
WYE-354.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (35)
168

>  <Formula> (35)
C24H29N7O5

>  <MolWeight> (35)
495.53096

>  <Item Name> (35)
WYE-354

>  <Catalog Number> (35)
S1266

>  <Synonyms> (35)
N/A

>  <Target> (35)
mTOR

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/WYE-354.html

>  <CAS Number> (35)
1062169-56-5

>  <ALogP> (35)
1.886

>  <HBA_Count> (35)
8

>  <HBD_Count> (35)
1

>  <Num_RotatableBonds> (35)
6

>  <Name> (35)
WYE-354.cdx

$$$$
Cilnidipine.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (36)
181

>  <Formula> (36)
C27H28N2O7

>  <MolWeight> (36)
492.52042

>  <Item Name> (36)
Cilnidipine

>  <Catalog Number> (36)
S1293

>  <Synonyms> (36)
FRC 8653

>  <Target> (36)
Calcium Channel

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/Cilnidipine.html

>  <CAS Number> (36)
132203-70-4

>  <ALogP> (36)
3.686

>  <HBA_Count> (36)
5

>  <HBD_Count> (36)
1

>  <Num_RotatableBonds> (36)
12

>  <Name> (36)
Cilnidipine.cdx

$$$$
Felodipine.cdx
csChFnd80/12301616082D

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IL Receptor

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M  END
>  <Mol_ID> (42)
270

>  <Formula> (42)
C20H19BrN4O3

>  <MolWeight> (42)
443.29386

>  <Item Name> (42)
YM155 (Sepantronium Bromide)

>  <Catalog Number> (42)
S1130

>  <Synonyms> (42)
N/A

>  <Target> (42)
Survivin

>  <Form> (42)
Free Base

>  <URL> (42)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (42)
781661-94-7

>  <ALogP> (42)
-0.733

>  <HBA_Count> (42)
5

>  <HBD_Count> (42)
0

>  <Num_RotatableBonds> (42)
5

>  <Name> (42)
S1130.cdx

$$$$
Droxinostat.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (43)
279

>  <Formula> (43)
C11H14ClNO3

>  <MolWeight> (43)
243.68676

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Droxinostat

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S1422

>  <Synonyms> (43)
N/A

>  <Target> (43)
HDAC

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/Droxinostat.html

>  <CAS Number> (43)
99873-43-5

>  <ALogP> (43)
2.4

>  <HBA_Count> (43)
2

>  <HBD_Count> (43)
1

>  <Num_RotatableBonds> (43)
5

>  <Name> (43)
Droxinostat.cdx

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/12301616082D

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    4.1915    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (44)
280

>  <Formula> (44)
C24H35Cl2N3O4

>  <MolWeight> (44)
500.4584

>  <Item Name> (44)
Ranolazine dihydrochloride

>  <Catalog Number> (44)
S1425

>  <Synonyms> (44)
RS 43285-193, RS-43285, Ranexa, renolazine

>  <Target> (44)
Calcium Channel

>  <Form> (44)
Dihydrochloride

>  <URL> (44)
http://www.selleckchem.com/products/Ranolazine-dihydrochloride.html

>  <CAS Number> (44)
95635-56-6

>  <ALogP> (44)
3.755

>  <HBA_Count> (44)
3

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2

>  <Num_RotatableBonds> (44)
9

>  <Name> (44)
Ranolazine dihydrochloride.cdx

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/12301616082D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (45)
294

>  <Formula> (45)
C31H31ClFN7O2

>  <MolWeight> (45)
588.0749432

>  <Item Name> (45)
Aurora A Inhibitor I

>  <Catalog Number> (45)
S1451

>  <Synonyms> (45)
N/A

>  <Target> (45)
Aurora Kinase

>  <Form> (45)
Free Base

>  <URL> (45)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

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

>  <ALogP> (45)
5.621

>  <HBA_Count> (45)
4

>  <HBD_Count> (45)
3

>  <Num_RotatableBonds> (45)
9

>  <Name> (45)
Aurora A Inhibitor I.cdx

$$$$
PHA-6806320.cdx
csChFnd80/12301616082D

 37 41  0  0  0  0  0  0  0  0999 V2000
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Aurora Kinase

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Fasudil HCl.cdx
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 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (54)
370

>  <Formula> (54)
C14H18ClN3O2S

>  <MolWeight> (54)
327.82962

>  <Item Name> (54)
Fasudil HCl (HA-1077)

>  <Catalog Number> (54)
S1573

>  <Synonyms> (54)
AT-877

>  <Target> (54)
ROCK

>  <Form> (54)
Hydrochloride

>  <URL> (54)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (54)
105628-07-7

>  <ALogP> (54)
0.57

>  <HBA_Count> (54)
3

>  <HBD_Count> (54)
1

>  <Num_RotatableBonds> (54)
2

>  <Name> (54)
Fasudil HCl.cdx

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (55)
420

>  <Formula> (55)
C19H21N3O5

>  <MolWeight> (55)
371.38714

>  <Item Name> (55)
Isradipine (Dynacirc)

>  <Catalog Number> (55)
S1662

>  <Synonyms> (55)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin

>  <Target> (55)
Others

>  <Form> (55)
Free Base

>  <URL> (55)
http://www.selleckchem.com/products/Isradipine(Dynacirc).html

>  <CAS Number> (55)
75695-93-1

>  <ALogP> (55)
2.168

>  <HBA_Count> (55)
7

>  <HBD_Count> (55)
1

>  <Num_RotatableBonds> (55)
6

>  <Name> (55)
DYNACIRC (isradipine).cdx

$$$$
GEMCITABINE (gemcitabine).cdx
csChFnd80/12301616082D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
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 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (56)
437

>  <Formula> (56)
C9H11F2N3O4

>  <MolWeight> (56)
263.1981464

>  <Item Name> (56)
Gemcitabine (Gemzar)

>  <Catalog Number> (56)
S1714

>  <Synonyms> (56)
Gemzar

>  <Target> (56)
Others

>  <Form> (56)
Free Base

>  <URL> (56)
http://www.selleckchem.com/products/Gemcitabine(Gemzar).html

>  <CAS Number> (56)
95058-81-4

>  <ALogP> (56)
-1.394

>  <HBA_Count> (56)
3

>  <HBD_Count> (56)
3

>  <Num_RotatableBonds> (56)
2

>  <Name> (56)
GEMCITABINE (gemcitabine).cdx

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/12301616082D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (57)
438

>  <Formula> (57)
C15H12N2O

>  <MolWeight> (57)
236.26858

>  <Item Name> (57)
Carbamazepine (Carbatrol)

>  <Catalog Number> (57)
S1693

>  <Synonyms> (57)
Equetro, Tegretol, Biston

>  <Target> (57)
Others

>  <Form> (57)
Free Base

>  <URL> (57)
http://www.selleckchem.com/products/Carbamazepine(Carbatrol).html

>  <CAS Number> (57)
298-46-4

>  <ALogP> (57)
2.679

>  <HBA_Count> (57)
1

>  <HBD_Count> (57)
1

>  <Num_RotatableBonds> (57)
0

>  <Name> (57)
CARBAMAZEPINE (carbamazepine).cdx

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/12301616082D

 21 18  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (58)
442

>  <Formula> (58)
C16H31NaO4

>  <MolWeight> (58)
310.40471

>  <Item Name> (58)
Divalproex sodium

>  <Catalog Number> (58)
S1703

>  <Synonyms> (58)
Depakote, Epival

>  <Target> (58)
Others

>  <Form> (58)
Sodium

>  <URL> (58)
http://www.selleckchem.com/products/Divalproex-sodium.html

>  <CAS Number> (58)
76584-70-8

>  <ALogP> (58)
4.025

>  <HBA_Count> (58)
1

>  <HBD_Count> (58)
0

>  <Num_RotatableBonds> (58)
10

>  <Name> (58)
DIVALPROEX (divalproex sodium).cdx

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/12301616082D

 30 31  0  0  0  0  0  0  0  0999 V2000
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467

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418.44034

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Nimodipine (Nimotop)

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S1747

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Nimotop

>  <Target> (59)
Others

>  <Form> (59)
Free Base

>  <URL> (59)
http://www.selleckchem.com/products/Nimodipine(Nimotop).html

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66085-59-4

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2.361

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5

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1

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NIMOTOP (nimodipine).cdx

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (60)
513

>  <Formula> (60)
C32H37NO8

>  <MolWeight> (60)
563.63808

>  <Item Name> (60)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (60)
S1972

>  <Synonyms> (60)
Istubal

>  <Target> (60)
Estrogen/progestogen Receptor

>  <Form> (60)
Citrate

>  <URL> (60)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (60)
54965-24-1

>  <ALogP> (60)
1.966

>  <HBA_Count> (60)
4

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0

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13

>  <Name> (60)
Nolvadex (Tamoxifen Citrate).cdx

$$$$
KW2449.cdx
csChFnd80/12301616082D

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>  <Mol_ID> (61)
580

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C20H20N4O

>  <MolWeight> (61)
332.399

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KW 2449

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S2158

>  <Synonyms> (61)
N/A

>  <Target> (61)
Flt, Bcr-Abl, Aurora Kinase

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Free Base

>  <URL> (61)
http://www.selleckchem.com/products/KW-2449.html

>  <CAS Number> (61)
1000669-72-6

>  <ALogP> (61)
2.723

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2

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2

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3

>  <Name> (61)
KW2449.cdx

$$$$

csChFnd80/12301616082D

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>  <Mol_ID> (62)
583

>  <Formula> (62)
C24H30ClN3O5

>  <MolWeight> (62)
475.9651

>  <Item Name> (62)
ITF2357 (Givinostat)

>  <Catalog Number> (62)
S2170

>  <Synonyms> (62)
N/A

>  <Target> (62)
HDAC

>  <Form> (62)
Chloride

>  <URL> (62)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (62)
732302-99-7

>  <ALogP> (62)
4.046

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3

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2

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9

$$$$
MLN2238.cdx
csChFnd80/12301616082D

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N/A

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Proteasome

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Free Base

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http://www.selleckchem.com/products/MLN-2238.html

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1072833-77-2

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MLN2238.cdx

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MLN9708.cdx
csChFnd80/12301616082D

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>  <Mol_ID> (64)
591

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C20H23BCl2N2O9

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MLN9708

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S2181

>  <Synonyms> (64)
N/A

>  <Target> (64)
Proteasome

>  <Form> (64)
Free Base

>  <URL> (64)
http://www.selleckchem.com/products/MLN9708.html

>  <CAS Number> (64)
1201902-80-8

>  <ALogP> (64)
3.497

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7

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2

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10

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MLN9708.cdx

$$$$
SGI 1776 free base.cdx
csChFnd80/12301616082D

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599

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C20H22F3N5O

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N/A

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Pim

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Free Base

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http://www.selleckchem.com/products/SGI-1776.html

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SGI 1776 free base.cdx

$$$$
PP442.cdx
csChFnd80/12301616082D

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>  <Mol_ID> (66)
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TORKinib

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mTOR

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1092351-67-1

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PP442.cdx

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 32 37  1  1  0  0  0
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 36 40  1  0  0  0  0
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 30 53  1  1  0  0  0
 41 54  1  1  0  0  0
M  END
>  <Mol_ID> (67)
628

>  <Formula> (67)
C38H72N2O12

>  <MolWeight> (67)
748.98448

>  <Item Name> (67)
Azithromycin

>  <Catalog Number> (67)
s1835

>  <Synonyms> (67)
CP-62993, XZ-450

>  <Target> (67)
autophagy

>  <Form> (67)
Free Base

>  <URL> (67)
http://www.selleckchem.com/products/azithromycin-zithromax.h

>  <CAS Number> (67)
83905-01-5

>  <ALogP> (67)
2.078

>  <HBA_Count> (67)
7

>  <HBD_Count> (67)
3

>  <Num_RotatableBonds> (67)
7

>  <Name> (67)
Azithromycin.cdx

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/12301616082D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (68)
638

>  <Formula> (68)
C20H25ClN2O5

>  <MolWeight> (68)
408.8759

>  <Item Name> (68)
Amlodipine (Norvasc)

>  <Catalog Number> (68)
S1905

>  <Synonyms> (68)
Istin, Norvasc, Caduet

>  <Target> (68)
Calcium Channel

>  <Form> (68)
Free Base

>  <URL> (68)
http://www.selleckchem.com/products/Amlodipine(Norvasc).html

>  <CAS Number> (68)
88150-42-9

>  <ALogP> (68)
1.576

>  <HBA_Count> (68)
5

>  <HBD_Count> (68)
2

>  <Num_RotatableBonds> (68)
10

>  <Name> (68)
AMLODIPINE (amlodipine).cdx

$$$$
Rotundine.cdx
csChFnd80/12301616082D

 27 30  0  0  0  0  0  0  0  0999 V2000
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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  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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 18 14  1  0  0  0  0
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M  END
>  <Mol_ID> (69)
650

>  <Formula> (69)
C21H25NO4

>  <MolWeight> (69)
355.4275

>  <Item Name> (69)
Rotundine

>  <Catalog Number> (69)
S2437

>  <Synonyms> (69)
N/A

>  <Target> (69)
Dopamine Receptor

>  <Form> (69)
Free Base

>  <URL> (69)
http://www.selleckchem.com/products/rotundine.html

>  <CAS Number> (69)
483-14-7

>  <ALogP> (69)
3.599

>  <HBA_Count> (69)
4

>  <HBD_Count> (69)
0

>  <Num_RotatableBonds> (69)
4

>  <Name> (69)
Rotundine.cdx

$$$$
Parthenolide.cdx
csChFnd80/12301616082D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    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> (70)
677

>  <Formula> (70)
C15H20O3

>  <MolWeight> (70)
248.3175

>  <Item Name> (70)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (70)
S2341

>  <Synonyms> (70)
N/A

>  <Target> (70)
Others

>  <Form> (70)
Free Base

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

>  <CAS Number> (70)
20554-84-1

>  <ALogP> (70)
2.923

>  <HBA_Count> (70)
3

>  <HBD_Count> (70)
0

>  <Num_RotatableBonds> (70)
0

>  <Name> (70)
Parthenolide.cdx

$$$$
Chrysophanic acid.cdx
csChFnd80/12301616082D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    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> (71)
689

>  <Formula> (71)
C15H10O4

>  <MolWeight> (71)
254.2375

>  <Item Name> (71)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (71)
S2406

>  <Synonyms> (71)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (71)
EGFR, mTOR

>  <Form> (71)
Free Base

>  <URL> (71)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (71)
481-74-3

>  <ALogP> (71)
2.81

>  <HBA_Count> (71)
2

>  <HBD_Count> (71)
2

>  <Num_RotatableBonds> (71)
0

>  <Name> (71)
Chrysophanic acid.cdx

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/12301616082D

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    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (72)
694

>  <Formula> (72)
C18H29ClN2O

>  <MolWeight> (72)
324.88866

>  <Item Name> (72)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (72)
S2454

>  <Synonyms> (72)
Marcain, Marcaine, Sensorcaine, Vivacaine

>  <Target> (72)
Others

>  <Form> (72)
Hydrochloride

>  <URL> (72)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (72)
18010-40-7

>  <ALogP> (72)
4.692

>  <HBA_Count> (72)
1

>  <HBD_Count> (72)
1

>  <Num_RotatableBonds> (72)
5

>  <Name> (72)
Bupivacaine hydrochloride.cdx

$$$$
Clonidine HCl.cdx
csChFnd80/12301616082D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (73)
699

>  <Formula> (73)
C9H10Cl3N3

>  <MolWeight> (73)
266.5548

>  <Item Name> (73)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (73)
S2458

>  <Synonyms> (73)
Catapres

>  <Target> (73)
Adrenergic Receptor

>  <Form> (73)
Hydrochloride

>  <URL> (73)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (73)
4205-91-8

>  <ALogP> (73)
2.736

>  <HBA_Count> (73)
1

>  <HBD_Count> (73)
2

>  <Num_RotatableBonds> (73)
2

>  <Name> (73)
Clonidine HCl.cdx

$$$$
Loperamide HCl.cdx
csChFnd80/12301616082D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
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M  END
>  <Mol_ID> (74)
710

>  <Formula> (74)
C29H34Cl2N2O2

>  <MolWeight> (74)
513.49846

>  <Item Name> (74)
Loperamide hydrochloride

>  <Catalog Number> (74)
S2480

>  <Synonyms> (74)
N/A

>  <Target> (74)
Opioid Receptor

>  <Form> (74)
Hydrochloride

>  <URL> (74)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (74)
34552-83-5

>  <ALogP> (74)
5.017

>  <HBA_Count> (74)
1

>  <HBD_Count> (74)
0

>  <Num_RotatableBonds> (74)
7

>  <Name> (74)
Loperamide HCl.cdx

$$$$
Manidipine.cdx
csChFnd80/12301616082D

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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (75)
711

>  <Formula> (75)
C35H38N4O6

>  <MolWeight> (75)
610.69942

>  <Item Name> (75)
Manidipine (Manyper)

>  <Catalog Number> (75)
S2481

>  <Synonyms> (75)
Artedil, Iperten

>  <Target> (75)
Calcium Channel

>  <Form> (75)
Free Base

>  <URL> (75)
http://www.selleckchem.com/products/Manidipine(Manyper).html

>  <CAS Number> (75)
89226-50-6

>  <ALogP> (75)
5.058

>  <HBA_Count> (75)
4

>  <HBD_Count> (75)
1

>  <Num_RotatableBonds> (75)
12

>  <Name> (75)
Manidipine.cdx

$$$$
TAK-901.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (76)
714

>  <Formula> (76)
C28H32N4O3S

>  <MolWeight> (76)
504.64368

>  <Item Name> (76)
TAK-901

>  <Catalog Number> (76)
S2718

>  <Synonyms> (76)
N/A

>  <Target> (76)
Aurora Kinase

>  <Form> (76)
Free Base

>  <URL> (76)
http://www.selleckchem.com/products/tak-901.html

>  <CAS Number> (76)
934541-31-8

>  <ALogP> (76)
4.056

>  <HBA_Count> (76)
4

>  <HBD_Count> (76)
2

>  <Num_RotatableBonds> (76)
5

>  <Name> (76)
TAK-901.cdx

$$$$
AMG900.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (77)
717

>  <Formula> (77)
C28H21N7OS

>  <MolWeight> (77)
503.57764

>  <Item Name> (77)
AMG 900

>  <Catalog Number> (77)
S2719

>  <Synonyms> (77)
N/A

>  <Target> (77)
Aurora Kinase

>  <Form> (77)
Free Base

>  <URL> (77)
http://www.selleckchem.com/products/amg-900.html

>  <CAS Number> (77)
945595-80-2

>  <ALogP> (77)
6.487

>  <HBA_Count> (77)
6

>  <HBD_Count> (77)
2

>  <Num_RotatableBonds> (77)
6

>  <Name> (77)
AMG900.cdx

$$$$
Manidipine HCl.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (78)
718

>  <Formula> (78)
C35H40Cl2N4O6

>  <MolWeight> (78)
683.6213

>  <Item Name> (78)
Manidipine dihydrochloride (CV-4093)

>  <Catalog Number> (78)
S2482

>  <Synonyms> (78)
N/A

>  <Target> (78)
Calcium Channel

>  <Form> (78)
Dihydrochloride

>  <URL> (78)
http://www.selleckchem.com/products/Manidipine-dihydrochloride(CV-4093).html

>  <CAS Number> (78)
89226-75-5

>  <ALogP> (78)
5.822

>  <HBA_Count> (78)
4

>  <HBD_Count> (78)
1

>  <Num_RotatableBonds> (78)
12

>  <Name> (78)
Manidipine HCl.cdx

$$$$
Nitrendipine.cdx
csChFnd80/12301616082D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (79)
725

>  <Formula> (79)
C18H20N2O6

>  <MolWeight> (79)
360.3612

>  <Item Name> (79)
Nitrendipine

>  <Catalog Number> (79)
S2491

>  <Synonyms> (79)
N/A

>  <Target> (79)
Calcium Channel

>  <Form> (79)
Free Base

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

>  <CAS Number> (79)
39562-70-4

>  <ALogP> (79)
2.115

>  <HBA_Count> (79)
4

>  <HBD_Count> (79)
1

>  <Num_RotatableBonds> (79)
7

>  <Name> (79)
Nitrendipine.cdx

$$$$
GSK2126458.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (80)
732

>  <Formula> (80)
C25H17F2N5O3S

>  <MolWeight> (80)
505.4959864

>  <Item Name> (80)
Omipalisib (GSK2126458, GSK458)

>  <Catalog Number> (80)
S2658

>  <Synonyms> (80)
N/A

>  <Target> (80)
PI3K, mTOR

>  <Form> (80)
Free Base

>  <URL> (80)
http://www.selleckchem.com/products/gsk2126458.html

>  <CAS Number> (80)
1086062-66-9

>  <ALogP> (80)
3.705

>  <HBA_Count> (80)
7

>  <HBD_Count> (80)
1

>  <Num_RotatableBonds> (80)
6

>  <Name> (80)
GSK2126458.cdx

$$$$
TAME.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (81)
769

>  <Formula> (81)
C14H22N4O4S

>  <MolWeight> (81)
342.41388

>  <Item Name> (81)
TAME

>  <Catalog Number> (81)
S2225

>  <Synonyms> (81)
N/A

>  <Target> (81)
APC

>  <Form> (81)
Free Base

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

>  <CAS Number> (81)
901-47-3

>  <ALogP> (81)
0.749

>  <HBA_Count> (81)
4

>  <HBD_Count> (81)
3

>  <Num_RotatableBonds> (81)
10

>  <Name> (81)
TAME.cdx

$$$$
MG132.cdx
csChFnd80/12301616082D

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mTOR

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Free Base

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Geldanamycin.cdx
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844

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C29H40N2O9

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Geldanamycin

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>  <Synonyms> (87)
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>  <Target> (87)
HSP

>  <Form> (87)
Free Base

>  <URL> (87)
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>  <CAS Number> (87)
30562-34-6

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>  <Name> (87)
Geldanamycin.cdx

$$$$
MK-5108.cdx
csChFnd80/12301616082D

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>  <Mol_ID> (88)
873

>  <Formula> (88)
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>  <Item Name> (88)
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>  <Catalog Number> (88)
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>  <Synonyms> (88)
N/A

>  <Target> (88)
Aurora Kinase

>  <Form> (88)
Free Base

>  <URL> (88)
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>  <CAS Number> (88)
1010085-13-8

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MK-5108.cdx

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/12301616082D

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>  <Formula> (89)
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>  <Synonyms> (89)
N/A

>  <Target> (89)
HDAC

>  <Form> (89)
Hydrochloride

>  <URL> (89)
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1310693-92-5

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>  <Name> (89)
Tubastatin A hydrochloride.cdx

$$$$
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M  END
>  <Mol_ID> (90)
882

>  <Formula> (90)
C22H27N5O4

>  <MolWeight> (90)
425.48088

>  <Item Name> (90)
PF-04691502

>  <Catalog Number> (90)
S2743

>  <Synonyms> (90)
N/A

>  <Target> (90)
mTOR, PI3K, Akt

>  <Form> (90)
Free Base

>  <URL> (90)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (90)
1013101-36-4

>  <ALogP> (90)
1.616

>  <HBA_Count> (90)
6

>  <HBD_Count> (90)
2

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6

>  <Name> (90)
PF-04691502.cdx

$$$$
Lacidipine.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (91)
889

>  <Formula> (91)
C26H33NO6

>  <MolWeight> (91)
455.54332

>  <Item Name> (91)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (91)
S1994

>  <Synonyms> (91)
Lacipil, Motens

>  <Target> (91)
Calcium Channel

>  <Form> (91)
Free Base

>  <URL> (91)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (91)
103890-78-4

>  <ALogP> (91)
3.824

>  <HBA_Count> (91)
6

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1

>  <Num_RotatableBonds> (91)
11

>  <Name> (91)
Lacidipine.cdx

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (92)
895

>  <Formula> (92)
C15H25ClN2O2

>  <MolWeight> (92)
300.8242

>  <Item Name> (92)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (92)
S2573

>  <Synonyms> (92)
N/A

>  <Target> (92)
Calcium Channel

>  <Form> (92)
Hydrochloride

>  <URL> (92)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (92)
136-47-0

>  <ALogP> (92)
3.343

>  <HBA_Count> (92)
2

>  <HBD_Count> (92)
1

>  <Num_RotatableBonds> (92)
9

>  <Name> (92)
Tetracaine hydrochloride.cdx

$$$$
NVP-BGT226.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (93)
965

>  <Formula> (93)
C32H29F3N6O6

>  <MolWeight> (93)
650.6044696

>  <Item Name> (93)
NVP-BGT226

>  <Catalog Number> (93)
S2749

>  <Synonyms> (93)
N/A

>  <Target> (93)
PI3K, mTOR

>  <Form> (93)
Free Base

>  <URL> (93)
http://www.selleckchem.com/products/nvp-bgt226.html

>  <CAS Number> (93)
1245537-68-1

>  <ALogP> (93)
1.618

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6

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1

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7

>  <Name> (93)
NVP-BGT226.cdx

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/12301616082D

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>  <Mol_ID> (94)
969

>  <Formula> (94)
C25H30ClI2NO3

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>  <Item Name> (94)
Amiodarone HCl

>  <Catalog Number> (94)
S1979

>  <Synonyms> (94)
N/A

>  <Target> (94)
Potassium Channel

>  <Form> (94)
Hydrochloride

>  <URL> (94)
http://www.selleckchem.com/products/amiodarone-hcl.html

>  <CAS Number> (94)
19774-82-4

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7.62

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Amiodarone hydrochloride.cdx

$$$$
3-Methyladenine.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (95)
972

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C6H7N5

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3-Methyladenine (3-MA)

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S2767

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3-MA

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PI3K

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Free Base

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5142-23-4

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0

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3-Methyladenine.cdx

$$$$
CEP-18770.cdx
csChFnd80/12301616082D

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>  <Mol_ID> (96)
976

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>  <MolWeight> (96)
413.27512

>  <Item Name> (96)
Delanzomib (CEP-18770)

>  <Catalog Number> (96)
S1157

>  <Synonyms> (96)
N/A

>  <Target> (96)
Proteasome

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/cep-18770.html

>  <CAS Number> (96)
847499-27-8

>  <ALogP> (96)
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3

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3

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9

>  <Name> (96)
CEP-18770.cdx

$$$$
PCI-34051.cdx
csChFnd80/12301616082D

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978

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C17H16N2O3

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HDAC

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>  <Name> (97)
PCI-34051.cdx

$$$$
CUDC-907.cdx
csChFnd80/12301616082D

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HDAC, PI3K

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Free Base

>  <URL> (98)
http://www.selleckchem.com/products/cudc-907.html

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1339928-25-4

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2.303

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CUDC-907.cdx

$$$$
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csChFnd80/12301616082D

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Nocodazole

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S2775

>  <Synonyms> (99)
N/A

>  <Target> (99)
Microtubule Associated

>  <Form> (99)
Free Base

>  <URL> (99)
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>  <CAS Number> (99)
31430-18-9

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$$$$
M344.cdx
csChFnd80/12301616082D

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993

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C16H25N3O3

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S2779

>  <Synonyms> (100)
N/A

>  <Target> (100)
HDAC

>  <Form> (100)
Free Base

>  <URL> (100)
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>  <CAS Number> (100)
251456-60-7

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2.004

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>  <HBD_Count> (100)
2

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M344.cdx

$$$$
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csChFnd80/12301616082D

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SOS BISMETHANOL

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p53

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RITA (NSC 652287).cdx

$$$$
Sirtinol.cdx
csChFnd80/12301616082D

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1016

>  <Formula> (102)
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>  <Synonyms> (102)
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>  <Target> (102)
Sirtuin

>  <Form> (102)
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410536-97-9

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>  <Name> (102)
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$$$$
Torin 2.cdx
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mTOR

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HDAC

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CI994.cdx

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csChFnd80/12301616082D

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GABA Receptor, HDAC

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1041

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C13H10N2O4

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C21H26Cl2F3N3S

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Trifluoperazine 2HCl

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N/A

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2HCl

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440-17-5

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Trifluoperazine dihydrochloride.cdx

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M  END
>  <Mol_ID> (108)
1090

>  <Formula> (108)
C40H57N5O7

>  <MolWeight> (108)
719.90988

>  <Item Name> (108)
Carfilzomib (PR-171)

>  <Catalog Number> (108)
S2853

>  <Synonyms> (108)
N/A

>  <Target> (108)
Proteasome

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

>  <CAS Number> (108)
868540-17-4

>  <ALogP> (108)
3.799

>  <HBA_Count> (108)
7

>  <HBD_Count> (108)
4

>  <Num_RotatableBonds> (108)
20

>  <Name> (108)
carfilzomib(PR-171).cdx

$$$$
Azelnidipine.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (109)
1110

>  <Formula> (109)
C33H34N4O6

>  <MolWeight> (109)
582.64626

>  <Item Name> (109)
Azelnidipine

>  <Catalog Number> (109)
S3053

>  <Synonyms> (109)
N/A

>  <Target> (109)
Calcium Channel

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (109)
123524-52-7

>  <ALogP> (109)
4.941

>  <HBA_Count> (109)
4

>  <HBD_Count> (109)
2

>  <Num_RotatableBonds> (109)
11

>  <Name> (109)
Azelnidipine.cdx

$$$$
Forskolin.cdx
csChFnd80/12301616082D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (110)
1112

>  <Formula> (110)
C22H34O7

>  <MolWeight> (110)
410.50116

>  <Item Name> (110)
Forskolin

>  <Catalog Number> (110)
S2449

>  <Synonyms> (110)
Coleonol

>  <Target> (110)
cAMP

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/forskolin.html

>  <CAS Number> (110)
66575-29-9

>  <ALogP> (110)
0.837

>  <HBA_Count> (110)
4

>  <HBD_Count> (110)
2

>  <Num_RotatableBonds> (110)
3

>  <Name> (110)
Forskolin.cdx

$$$$
IOX2.cdx
csChFnd80/12301616082D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (111)
1182

>  <Formula> (111)
C19H16N2O5

>  <MolWeight> (111)
352.34074

>  <Item Name> (111)
IOX2

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S2919

>  <Synonyms> (111)
N/A

>  <Target> (111)
HIF

>  <Form> (111)
Free Base

>  <URL> (111)
http://www.selleckchem.com/products/iox2.html

>  <CAS Number> (111)
931398-72-0

>  <ALogP> (111)
1.153

>  <HBA_Count> (111)
3

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2

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5

>  <Name> (111)
IOX2.cdx

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/12301616082D

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1214

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C26H28Cl2F2N2

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Flunarizine 2HCl

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S2030

>  <Synonyms> (112)
N/A

>  <Target> (112)
Calcium Channel

>  <Form> (112)
2HCl

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

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30484-77-6

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6.699

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0

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>  <Name> (112)
Flunarizine dihydrochloride.cdx

$$$$
Cleviprex.cdx
csChFnd80/12301616082D

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>  <Mol_ID> (113)
1229

>  <Formula> (113)
C21H23Cl2NO6

>  <MolWeight> (113)
456.31642

>  <Item Name> (113)
Cleviprex (Clevidipine)

>  <Catalog Number> (113)
S2080

>  <Synonyms> (113)
N/A

>  <Target> (113)
Calcium Channel

>  <Form> (113)
Free Base

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

>  <CAS Number> (113)
167221-71-8

>  <ALogP> (113)
4.145

>  <HBA_Count> (113)
6

>  <HBD_Count> (113)
1

>  <Num_RotatableBonds> (113)
10

>  <Name> (113)
Cleviprex.cdx

$$$$
Gabexate mesylate.cdx
csChFnd80/12301616082D

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>  <Mol_ID> (114)
1236

>  <Formula> (114)
C17H27N3O7S

>  <MolWeight> (114)
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>  <Item Name> (114)
Gabexate mesylate

>  <Catalog Number> (114)
S2101

>  <Synonyms> (114)
N/A

>  <Target> (114)
Proteasome

>  <Form> (114)
Mesylate

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

>  <CAS Number> (114)
56974-61-9

>  <ALogP> (114)
1.774

>  <HBA_Count> (114)
4

>  <HBD_Count> (114)
2

>  <Num_RotatableBonds> (114)
12

>  <Name> (114)
Gabexate mesylate.cdx

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/12301616082D

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>  <Mol_ID> (115)
1254

>  <Formula> (115)
C19H19N3O6

>  <MolWeight> (115)
385.37066

>  <Item Name> (115)
Nilvadipine (ARC029)

>  <Catalog Number> (115)
S2721

>  <Synonyms> (115)
N/A

>  <Target> (115)
Calcium Channel

>  <Form> (115)
Free Base

>  <URL> (115)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (115)
75530-68-6

>  <ALogP> (115)
2.087

>  <HBA_Count> (115)
4

>  <HBD_Count> (115)
1

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7

>  <Name> (115)
ARC029(Nilvadipine).cdx

$$$$
aspirin.cdx
csChFnd80/12301616082D

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Pim

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pim inhibitor I(SMI-4a).cdx

$$$$
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Oprozomib (ONX 0912).cdx
csChFnd80/12301616082D

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Proteasome

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csChFnd80/12301616082D

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Autophagy

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sodium phenylbutyrate.cdx
csChFnd80/12301616082D

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HDAC

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S7129

>  <Synonyms> (136)
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>  <Target> (136)
E1 Activating

>  <Form> (136)
Free Base

>  <URL> (136)
http://www.selleckchem.com/products/pyr-41.html

>  <CAS Number> (136)
418805-02-4

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csChFnd80/12301616082D

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>  <MolWeight> (137)
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>  <Item Name> (137)
Brefeldin A

>  <Catalog Number> (137)
S7046

>  <Synonyms> (137)
BFA

>  <Target> (137)
ATPase

>  <Form> (137)
Free Base

>  <URL> (137)
http://www.selleckchem.com/products/brefeldin-a.html

>  <CAS Number> (137)
20350-15-6

>  <ALogP> (137)
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brefeldin A.cdx

$$$$
NMS-873.cdx
csChFnd80/12301616082D

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1732

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>  <Synonyms> (138)
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p97

>  <Form> (138)
Free Base

>  <URL> (138)
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>  <CAS Number> (138)
1418013-75-8

>  <ALogP> (138)
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NMS-873.cdx

$$$$
GNE-0877.cdx
csChFnd80/12301616082D

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>  <Synonyms> (139)
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>  <Target> (139)
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>  <Form> (139)
Free Base

>  <URL> (139)
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>  <CAS Number> (139)
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GNE-0877.cdx

$$$$
Vincristine Sulfate.cdx
csChFnd80/12301616082D

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C46H58N4O14S

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Vincristine Sulfate

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S1241

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Leurocristine

>  <Target> (140)
Autophagy,Microtubule Associated

>  <Form> (140)
Sulfate

>  <URL> (140)
http://www.selleckchem.com/products/Vincristine-Sulfate.html

>  <CAS Number> (140)
2068-78-2

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3.365

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1

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Vincristine Sulfate.cdx

$$$$
GNE7915.cdx
csChFnd80/12301616082D

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>  <Mol_ID> (141)
1855

>  <Formula> (141)
C19H21F4N5O3

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GNE-7915

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S7528

>  <Synonyms> (141)
N/A

>  <Target> (141)
Others

>  <Form> (141)
Free Base

>  <URL> (141)
http://www.selleckchem.com/products/gne-7915.html

>  <CAS Number> (141)
1351761-44-8

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3.052

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7

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GNE7915.cdx

$$$$
Temsirolimus.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (142)
1905

>  <Formula> (142)
C56H87NO16

>  <MolWeight> (142)
1030.28708

>  <Item Name> (142)
Temsirolimus (CCI-779, NSC 683864)

>  <Catalog Number> (142)
S1044

>  <Synonyms> (142)
N/A

>  <Target> (142)
mTOR

>  <Form> (142)
Free Base

>  <URL> (142)
http://www.selleckchem.com/products/Temsirolimus.html

>  <CAS Number> (142)
162635-04-3

>  <ALogP> (142)
6.039

>  <HBA_Count> (142)
12

>  <HBD_Count> (142)
3

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11

>  <Name> (142)
Temsirolimus.cdx

$$$$
GNE-9605.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (143)
1911

>  <Formula> (143)
C17H20ClF4N7O

>  <MolWeight> (143)
449.8336128

>  <Item Name> (143)
GNE-9605

>  <Catalog Number> (143)
S7368

>  <Synonyms> (143)
N/A

>  <Target> (143)
LRRK2

>  <Form> (143)
Free Base

>  <URL> (143)
http://www.selleckchem.com/products/gne-9605.html

>  <CAS Number> (143)
1536200-31-3

>  <ALogP> (143)
2.715

>  <HBA_Count> (143)
4

>  <HBD_Count> (143)
2

>  <Num_RotatableBonds> (143)
6

>  <Name> (143)
GNE-9605.cdx

$$$$
Piperlongumine.cdx
csChFnd80/12301616082D

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M  END
>  <Mol_ID> (144)
1982

>  <Formula> (144)
C17H19NO5

>  <MolWeight> (144)
317.33646

>  <Item Name> (144)
Piperlongumine

>  <Catalog Number> (144)
S7551

>  <Synonyms> (144)
PPLGM

>  <Target> (144)
Others

>  <Form> (144)
Free Base

>  <URL> (144)
http://www.selleckchem.com/products/piperlongumine.html

>  <CAS Number> (144)
20069-09-4

>  <ALogP> (144)
2.135

>  <HBA_Count> (144)
5

>  <HBD_Count> (144)
0

>  <Num_RotatableBonds> (144)
5

>  <Name> (144)
Piperlongumine.cdx

$$$$
GSK2578215A.cdx
csChFnd80/12301616082D

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 12  7  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 24  1  0  0  0  0
M  END
>  <Mol_ID> (145)
1991

>  <Formula> (145)
C24H18FN3O2

>  <MolWeight> (145)
399.4170232

>  <Item Name> (145)
GSK2578215A

>  <Catalog Number> (145)
S7664

>  <Synonyms> (145)
N/A

>  <Target> (145)
LRRK2

>  <Form> (145)
Free Base

>  <URL> (145)
http://www.selleckchem.com/products/gsk2578215a.html

>  <CAS Number> (145)
1285515-21-0

>  <ALogP> (145)
3.985

>  <HBA_Count> (145)
4

>  <HBD_Count> (145)
1

>  <Num_RotatableBonds> (145)
6

>  <Name> (145)
GSK2578215A.cdx

$$$$
MHY1485.cdx
csChFnd80/12301616082D

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