ABT-888(Veliparib).cdx
csChFnd80/04261716222D

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PARP

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912444-00-9

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ABT-888(Veliparib).cdx

$$$$
untitled.cdx
csChFnd80/04261716222D

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2

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C21H23N3O2

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Panobinostat

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S1030

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>  <Target> (2)
HDAC

>  <Form> (2)
Free Base

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404950-80-7

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untitled.cdx

$$$$
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csChFnd80/04261716222D

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>  <Mol_ID> (3)
3

>  <Formula> (3)
C17H22N2O3

>  <MolWeight> (3)
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>  <Item Name> (3)
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>  <Synonyms> (3)
TSA

>  <Target> (3)
HDAC

>  <Form> (3)
Free Base

>  <URL> (3)
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>  <CAS Number> (3)
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>  <ALogP> (3)
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Trichostatin A.cdx

$$$$
vorinostat.cdx
csChFnd80/04261716222D

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C14H20N2O3

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Vorinostat (SAHA)

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S1047

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Zolinza, MK-0683

>  <Target> (4)
HDAC

>  <Form> (4)
Free Base

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

>  <CAS Number> (4)
149647-78-9

>  <ALogP> (4)
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vorinostat.cdx

$$$$
untitled.cdx
csChFnd80/04261716222D

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5

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>  <MolWeight> (5)
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Aurora Kinase

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HDAC

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S1095

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N/A

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HDAC

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Free Base

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http://www.selleckchem.com/products/LAQ824(NVP-LAQ824).html

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404951-53-7

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3.045

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Rucaparib (AG-014699 , PF-01367338)

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http://www.selleckchem.com/products/AG-014699.html

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459868-92-9

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M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C24H26N4O4

>  <MolWeight> (26)
434.48764

>  <Item Name> (26)
CUDC-101

>  <Catalog Number> (26)
S1194

>  <Synonyms> (26)
N/A

>  <Target> (26)
HDAC, EGFR, HER2

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/CUDC-101.html

>  <CAS Number> (26)
1012054-59-9

>  <ALogP> (26)
5.376

>  <HBA_Count> (26)
5

>  <HBD_Count> (26)
2

>  <Num_RotatableBonds> (26)
11

>  <Name> (26)
S119401 CUDC-101.cdx

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/04261716222D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
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M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C8H12N4O4

>  <MolWeight> (27)
228.20528

>  <Item Name> (27)
Decitabine

>  <Catalog Number> (27)
S1200

>  <Synonyms> (27)
Dacogen

>  <Target> (27)
DNA/RNA Synthesis

>  <Form> (27)
Free Base

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

>  <CAS Number> (27)
2353-33-5

>  <ALogP> (27)
-1.093

>  <HBA_Count> (27)
4

>  <HBD_Count> (27)
3

>  <Num_RotatableBonds> (27)
2

>  <Name> (27)
decitabine (2¡ä-deoxy-5-azacytidine).cdx

$$$$
2-Methoxyestradiol.cdx
csChFnd80/04261716222D

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 17 24  1  1  0  0  0
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M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C19H26O3

>  <MolWeight> (28)
302.40794

>  <Item Name> (28)
2-Methoxyestradiol

>  <Catalog Number> (28)
S1233

>  <Synonyms> (28)
2-ME2

>  <Target> (28)
HIF

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (28)
362-07-2

>  <ALogP> (28)
3.821

>  <HBA_Count> (28)
1

>  <HBD_Count> (28)
2

>  <Num_RotatableBonds> (28)
1

>  <Name> (28)
2-Methoxyestradiol.cdx

$$$$
JNJ-7706621.cdx
csChFnd80/04261716222D

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

>  <Formula> (29)
C15H12F2N6O3S

>  <MolWeight> (29)
394.3559864

>  <Item Name> (29)
JNJ-7706621

>  <Catalog Number> (29)
S1249

>  <Synonyms> (29)
N/A

>  <Target> (29)
CDK, Aurora Kinase

>  <Form> (29)
Free Base

>  <URL> (29)
http://www.selleckchem.com/products/JNJ-7706621.html

>  <CAS Number> (29)
443797-96-4

>  <ALogP> (29)
2.226

>  <HBA_Count> (29)
5

>  <HBD_Count> (29)
3

>  <Num_RotatableBonds> (29)
4

>  <Name> (29)
JNJ-7706621.cdx

$$$$
resveratrol.cdx
csChFnd80/04261716222D

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>  <Mol_ID> (30)
30

>  <Formula> (30)
C14H12O3

>  <MolWeight> (30)
228.24328

>  <Item Name> (30)
Resveratrol

>  <Catalog Number> (30)
S1396

>  <Synonyms> (30)
N/A

>  <Target> (30)
Sirtuin

>  <Form> (30)
Free Base

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

>  <CAS Number> (30)
501-36-0

>  <ALogP> (30)
3.09

>  <HBA_Count> (30)
0

>  <HBD_Count> (30)
3

>  <Num_RotatableBonds> (30)
2

>  <Name> (30)
resveratrol.cdx

$$$$
Droxinostat.cdx
csChFnd80/04261716222D

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31

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HDAC

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99873-43-5

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Droxinostat.cdx

$$$$
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32

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N/A

>  <Target> (32)
Aurora Kinase

>  <Form> (32)
Free Base

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http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

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1158838-45-9

>  <ALogP> (32)
5.621

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4

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>  <Name> (32)
Aurora A Inhibitor I.cdx

$$$$
PHA-6806320.cdx
csChFnd80/04261716222D

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33

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PHA-680632

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Aurora Kinase

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Free Base

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http://www.selleckchem.com/products/PHA-680632.html

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PHA-6806320.cdx

$$$$
FG-4592.cdx
csChFnd80/04261716222D

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HIF

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http://www.selleckchem.com/products/fg-4592.html

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808118-40-3

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FG-4592.cdx

$$$$
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M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C27H30Cl2F2N6O

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>  <Item Name> (39)
NVP-BSK805 2HCl

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S2686

>  <Synonyms> (39)
N/A

>  <Target> (39)
JAK

>  <Form> (39)
dihydrochloride

>  <URL> (39)
http://www.selleckchem.com/products/nvp-bsk805.html

>  <CAS Number> (39)
1092499-93-8 (free base)

>  <ALogP> (39)
3.92

>  <HBA_Count> (39)
4

>  <HBD_Count> (39)
1

>  <Num_RotatableBonds> (39)
5

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C8H12N4O5

>  <MolWeight> (40)
244.20468

>  <Item Name> (40)
Azacitidine (Vidaza)

>  <Catalog Number> (40)
S1782

>  <Synonyms> (40)
5-azacytidine, Mylosar, Ladakamycin

>  <Target> (40)
DNA/RNA Synthesis

>  <Form> (40)
Free Base

>  <URL> (40)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (40)
320-67-2

>  <ALogP> (40)
-2.505

>  <HBA_Count> (40)
4

>  <HBD_Count> (40)
4

>  <Num_RotatableBonds> (40)
2

>  <Name> (40)
VIDAZA (azacitidine).cdx

$$$$
Baricitinib.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (41)
41

>  <Formula> (41)
C16H17N7O2S

>  <MolWeight> (41)
371.41688

>  <Item Name> (41)
Baricitinib (LY3009104)

>  <Catalog Number> (41)
S2851

>  <Synonyms> (41)
INCB 28050

>  <Target> (41)
JAK

>  <Form> (41)
Free Base

>  <URL> (41)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (41)
1187594-09-7

>  <ALogP> (41)
0.36

>  <HBA_Count> (41)
5

>  <HBD_Count> (41)
1

>  <Num_RotatableBonds> (41)
5

>  <Name> (41)
Baricitinib.cdx

$$$$
Quercetin.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C15H10O7

>  <MolWeight> (42)
302.2357

>  <Item Name> (42)
Quercetin (Sophoretin)

>  <Catalog Number> (42)
S2391

>  <Synonyms> (42)
Meletin, Quercetine

>  <Target> (42)
PI3K, PKC, Src, Sirtuin

>  <Form> (42)
Free Base

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

>  <CAS Number> (42)
117-39-5

>  <ALogP> (42)
1.63

>  <HBA_Count> (42)
2

>  <HBD_Count> (42)
5

>  <Num_RotatableBonds> (42)
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>  <Name> (42)
Quercetin.cdx

$$$$
KW2449.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C20H20N4O

>  <MolWeight> (43)
332.399

>  <Item Name> (43)
KW 2449

>  <Catalog Number> (43)
S2158

>  <Synonyms> (43)
N/A

>  <Target> (43)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/KW-2449.html

>  <CAS Number> (43)
1000669-72-6

>  <ALogP> (43)
2.723

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2

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2

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3

>  <Name> (43)
KW2449.cdx

$$$$

csChFnd80/04261716222D

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M  END
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C28H21N7OS

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N/A

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Aurora Kinase

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Free Base

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http://www.selleckchem.com/products/amg-900.html

>  <CAS Number> (52)
945595-80-2

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AMG900.cdx

$$$$
CP-690550 citrate.cdx
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>  <Mol_ID> (53)
53

>  <Formula> (53)
C22H28N6O8

>  <MolWeight> (53)
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>  <Item Name> (53)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (53)
S5001

>  <Synonyms> (53)
N/A

>  <Target> (53)
JAK

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Citrate

>  <URL> (53)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (53)
540737-29-9

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0.193

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1

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>  <Name> (53)
CP-690550 citrate.cdx

$$$$
TG101348.cdx
csChFnd80/04261716222D

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>  <Mol_ID> (54)
54

>  <Formula> (54)
C27H36N6O3S

>  <MolWeight> (54)
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>  <Item Name> (54)
Fedratinib (SAR302503, TG101348)

>  <Catalog Number> (54)
S2736

>  <Synonyms> (54)
N/A

>  <Target> (54)
JAK

>  <Form> (54)
Free Base

>  <URL> (54)
http://www.selleckchem.com/products/tg-101348.html

>  <CAS Number> (54)
936091-26-8

>  <ALogP> (54)
5.123

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3

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>  <Name> (54)
TG101348.cdx

$$$$
MK-5108.cdx
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JAK

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Free Base

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$$$$
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HIF

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Free Base

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IOX2.cdx

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/04261716222D

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Pim

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Free Base

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438190-29-5

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pim inhibitor I(SMI-4a).cdx

$$$$
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csChFnd80/04261716222D

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Methyltransferase

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HCl

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BIX01294 3HCl.cdx

$$$$
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GSK J4 HCL.cdx
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M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C24H28ClN5O2

>  <MolWeight> (78)
453.96442

>  <Item Name> (78)
GSK J4 HCl

>  <Catalog Number> (78)
S7070

>  <Synonyms> (78)
N/A

>  <Target> (78)
Others

>  <Form> (78)
HCl

>  <URL> (78)
http://www.selleckchem.com/products/gsk-j4-hcl.html

>  <CAS Number> (78)
1373423-53-0(free base)

>  <ALogP> (78)
4.663

>  <HBA_Count> (78)
5

>  <HBD_Count> (78)
1

>  <Num_RotatableBonds> (78)
8

>  <Name> (78)
GSK J4 HCL.cdx

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (79)
79

>  <Formula> (79)
C20H21N3O2

>  <MolWeight> (79)
335.39964

>  <Item Name> (79)
Tubastatin A

>  <Catalog Number> (79)
S8049

>  <Synonyms> (79)
N/A

>  <Target> (79)
HDAC

>  <Form> (79)
Free Base

>  <URL> (79)
http://www.selleckchem.com/products/tubastatin-a.html

>  <CAS Number> (79)
1252003-15-8

>  <ALogP> (79)
3.081

>  <HBA_Count> (79)
1

>  <HBD_Count> (79)
1

>  <Num_RotatableBonds> (79)
3

>  <Name> (79)
Tubastatin A hydrochloride.cdx

$$$$
sodium phenylbutyrate.cdx
csChFnd80/04261716222D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C10H11NaO2

>  <MolWeight> (80)
186.18291

>  <Item Name> (80)
Sodium Phenylbutyrate

>  <Catalog Number> (80)
S4125

>  <Synonyms> (80)
N/A

>  <Target> (80)
HDAC

>  <Form> (80)
Free Base

>  <URL> (80)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (80)
1716-12-7

>  <ALogP> (80)
2.497

>  <HBA_Count> (80)
2

>  <HBD_Count> (80)
0

>  <Num_RotatableBonds> (80)
5

>  <Name> (80)
sodium phenylbutyrate.cdx

$$$$
Zebularine.cdx
csChFnd80/04261716222D

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M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C9H12N2O5

>  <MolWeight> (81)
228.20198

>  <Item Name> (81)
Zebularine

>  <Catalog Number> (81)
S7113

>  <Synonyms> (81)
N/A

>  <Target> (81)
DNA Methyltransferase

>  <Form> (81)
Free Base

>  <URL> (81)
https://www.selleckchem.com/products/zebularine.html

>  <CAS Number> (81)
3690-10-6

>  <ALogP> (81)
-1.747

>  <HBA_Count> (81)
3

>  <HBD_Count> (81)
3

>  <Num_RotatableBonds> (81)
2

>  <Name> (81)
Zebularine.cdx

$$$$
AZD 2461.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C22H22FN3O3

>  <MolWeight> (82)
395.4267832

>  <Item Name> (82)
AZD2461

>  <Catalog Number> (82)
S7029

>  <Synonyms> (82)
N/A

>  <Target> (82)
PARP

>  <Form> (82)
Free Base

>  <URL> (82)
https://www.selleckchem.com/products/azd2461.html

>  <CAS Number> (82)
1174043-16-3

>  <ALogP> (82)
1.993

>  <HBA_Count> (82)
4

>  <HBD_Count> (82)
1

>  <Num_RotatableBonds> (82)
4

>  <Name> (82)
AZD 2461.cdx

$$$$
Scriptaid (GCK 1026).cdx
csChFnd80/04261716222D

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Histone Methyltransferase

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csChFnd80/04261716222D

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csChFnd80/04261716222D

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>  <Formula> (87)
C10H8BrN5OS

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Lomeguatrib

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S8056

>  <Synonyms> (87)
PaTrin-2

>  <Target> (87)
DNA Methyltransferase

>  <Form> (87)
Free Base

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

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192441-08-0

>  <ALogP> (87)
2.131

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4

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192441-08-0.cdx

$$$$
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relative stereochemistry
M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C9H12ClNR

>  <MolWeight> (88)
169.65128

>  <Item Name> (88)
Tranylcypromine (2-PCPA) HCl

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S4246

>  <Synonyms> (88)
N/A

>  <Target> (88)
MAO

>  <Form> (88)
Salt

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4548-34-9

>  <ALogP> (88)
2.309

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0

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1

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1

>  <Name> (88)
S4246.cdx

$$$$
AZD 1480.cdx
csChFnd80/04261716222D

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>  <Mol_ID> (89)
89

>  <Formula> (89)
C14H14ClFN8

>  <MolWeight> (89)
348.7659632

>  <Item Name> (89)
AZD1480

>  <Catalog Number> (89)
S2162

>  <Synonyms> (89)
N/A

>  <Target> (89)
JAK

>  <Form> (89)
Free Base

>  <URL> (89)
http://www.selleckchem.com/products/AZD1480.html

>  <CAS Number> (89)
935666-88-9, 1260222-79-4 (TFA)

>  <ALogP> (89)
2.645

>  <HBA_Count> (89)
5

>  <HBD_Count> (89)
3

>  <Num_RotatableBonds> (89)
5

>  <Name> (89)
AZD 1480.cdx

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/04261716222D

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>  <Mol_ID> (90)
90

>  <Formula> (90)
C22H22ClN5O2

>  <MolWeight> (90)
423.89538

>  <Item Name> (90)
I-BET-762

>  <Catalog Number> (90)
S7189

>  <Synonyms> (90)
GSK525762, GSK525762A

>  <Target> (90)
Epigenetic Reader Domain

>  <Form> (90)
Free Base

>  <URL> (90)
http://www.selleckchem.com/products/i-bet-762.html

>  <CAS Number> (90)
1260907-17-2

>  <ALogP> (90)
3.288

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5

>  <HBD_Count> (90)
1

>  <Num_RotatableBonds> (90)
5

>  <Name> (90)
GSK525762 (I-BET-762).cdx

$$$$
RGFP966.cdx
csChFnd80/04261716222D

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>  <Mol_ID> (91)
91

>  <Formula> (91)
C21H19FN4O

>  <MolWeight> (91)
362.4001632

>  <Item Name> (91)
RGFP966

>  <Catalog Number> (91)
S7229

>  <Synonyms> (91)
N/A

>  <Target> (91)
HDAC

>  <Form> (91)
Free Base

>  <URL> (91)
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1396841-57-8

>  <ALogP> (91)
3.242

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2

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2

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>  <Name> (91)
RGFP966.cdx

$$$$
ZM39923 HCl.cdx
csChFnd80/04261716222D

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   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7377    0.0634    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  1  6  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 16  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 15 19  1  0  0  0  0
  3 15  1  0  0  0  0
M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C23H26ClNO

>  <MolWeight> (92)
367.91164

>  <Item Name> (92)
ZM 39923 HCl

>  <Catalog Number> (92)
S8004

>  <Synonyms> (92)
N/A

>  <Target> (92)
JAK

>  <Form> (92)
HCl

>  <URL> (92)
http://www.selleckchem.com/products/zm-39923-hcl.html

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

>  <ALogP> (92)
5.424

>  <HBA_Count> (92)
1

>  <HBD_Count> (92)
0

>  <Num_RotatableBonds> (92)
7

>  <Name> (92)
ZM39923 HCl.cdx

$$$$
SGC 0946.cdx
csChFnd80/04261716222D

 40 43  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    1.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0704    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    2.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9199    2.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9199    4.2022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7075    6.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1323    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3797    4.2666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5994    2.8791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9869    2.6593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6246    3.9110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6313    4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0074    4.1300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6095    1.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6224    1.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0007    3.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2524    3.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0325    5.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6451    5.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9273    1.7338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1054    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3570    1.6065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4306    3.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6779    3.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0224    6.1518    0.0000 Br  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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 10  1  0  0  0  0
  4 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  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
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  1  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 28  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 32  1  0  0  0  0
 38 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C28H40BrN7O4

>  <MolWeight> (93)
618.5657

>  <Item Name> (93)
SGC 0946

>  <Catalog Number> (93)
S7079

>  <Synonyms> (93)
N/A

>  <Target> (93)
Histone Methyltransferase

>  <Form> (93)
Free Base

>  <URL> (93)
http://www.selleckchem.com/products/sgc-0946.html

>  <ALogP> (93)
3.278

>  <HBA_Count> (93)
4

>  <HBD_Count> (93)
5

>  <Num_RotatableBonds> (93)
10

>  <Name> (93)
SGC 0946.cdx

$$$$
SGI-1027.cdx
csChFnd80/04261716222D

 35 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  1  0  0  0  0
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 15 18  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 32 34  1  0  0  0  0
 30 35  1  0  0  0  0
M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C27H23N7O

>  <MolWeight> (94)
461.51782

>  <Item Name> (94)
SGI-1027

>  <Catalog Number> (94)
S7276

>  <Synonyms> (94)
DNA Methyltransferase Inhibitor II

>  <Target> (94)
DNA Methyltransferase

>  <Form> (94)
Free Base

>  <URL> (94)
http://www.selleckchem.com/products/sgi-1027.html

>  <CAS Number> (94)
1020149-73-8

>  <ALogP> (94)
4.718

>  <HBA_Count> (94)
4

>  <HBD_Count> (94)
4

>  <Num_RotatableBonds> (94)
6

>  <Name> (94)
SGI-1027.cdx

$$$$
RVX-208(RVX-000222).cdx
csChFnd80/04261716222D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C20H22N2O5

>  <MolWeight> (95)
370.39908

>  <Item Name> (95)
RVX-208(RVX-000222)

>  <Catalog Number> (95)
S7295

>  <Synonyms> (95)
RVX-000222

>  <Target> (95)
Epigenetic Reader Domain

>  <Form> (95)
Free Base

>  <URL> (95)
http://www.selleckchem.com/products/rvx-208.html

>  <CAS Number> (95)
1044870-39-4

>  <ALogP> (95)
2.877

>  <HBA_Count> (95)
5

>  <HBD_Count> (95)
2

>  <Num_RotatableBonds> (95)
6

>  <Name> (95)
RVX-208(RVX-000222).cdx

$$$$
XL019.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (99)
99

>  <Formula> (99)
C28H32N4O3

>  <MolWeight> (99)
472.57868

>  <Item Name> (99)
Pacritinib (SB1518)

>  <Catalog Number> (99)
S8057

>  <Synonyms> (99)
N/A

>  <Target> (99)
JAK

>  <Form> (99)
Free Base

>  <URL> (99)
http://www.selleckchem.com/products/pacritinib-sb1518.html

>  <CAS Number> (99)
937272-79-2

>  <ALogP> (99)
4.547

>  <HBA_Count> (99)
5

>  <HBD_Count> (99)
1

>  <Num_RotatableBonds> (99)
4

>  <Name> (99)
Pacritinib (SB1518).cdx

$$$$
RG2833 (RGFP109).cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (100)
100

>  <Formula> (100)
C20H25N3O2

>  <MolWeight> (100)
339.4314

>  <Item Name> (100)
RG2833 (RGFP109)

>  <Catalog Number> (100)
S7292

>  <Synonyms> (100)
N/A

>  <Target> (100)
HDAC

>  <Form> (100)
Free Base

>  <URL> (100)
http://www.selleckchem.com/products/rg2833-rgfp109.html

>  <CAS Number> (100)
1215493-56-3

>  <ALogP> (100)
2.895

>  <HBA_Count> (100)
2

>  <HBD_Count> (100)
3

>  <Num_RotatableBonds> (100)
8

>  <Name> (100)
RG2833 (RGFP109).cdx

$$$$
SGC-CBP30.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (101)
101

>  <Formula> (101)
C28H33ClN4O3

>  <MolWeight> (101)
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>  <Item Name> (101)
SGC-CBP30

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>  <Synonyms> (101)
N/A

>  <Target> (101)
Epigenetic Reader Domain

>  <Form> (101)
Free Base

>  <URL> (101)
http://www.selleckchem.com/products/sgc-cbp30.html

>  <ALogP> (101)
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0

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>  <Name> (101)
SGC-CBP30.cdx

$$$$
LM-3229 ME 0328.cdx
csChFnd80/04261716222D

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>  <Mol_ID> (102)
102

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>  <MolWeight> (102)
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>  <Item Name> (102)
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S7438

>  <Synonyms> (102)
N/A

>  <Target> (102)
PARP

>  <Form> (102)
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>  <URL> (102)
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>  <CAS Number> (102)
1445251-22-8

>  <ALogP> (102)
2.213

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>  <Name> (102)
LM-3229 ME 0328.cdx

$$$$
UNC669.cdx
csChFnd80/04261716222D

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Histone Acetyltransferase

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Sodium Channel

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Histone Methyltransferase

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    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1678    8.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    7.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    9.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9311   11.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    9.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    9.5979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C17H18N6

>  <MolWeight> (117)
306.36502

>  <Item Name> (117)
Ruxolitinib (INCB018424)

>  <Catalog Number> (117)
S1378

>  <Synonyms> (117)
N/A

>  <Target> (117)
JAK

>  <Form> (117)
Free Base

>  <URL> (117)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (117)
941678-49-5

>  <ALogP> (117)
2.88

>  <HBA_Count> (117)
3

>  <HBD_Count> (117)
1

>  <Num_RotatableBonds> (117)
4

>  <Name> (117)
R-Ruxolitinib.cdx

$$$$
filgotinib.cdx
csChFnd80/04261716222D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
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 17 19  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C21H23N5O3S

>  <MolWeight> (118)
425.50402

>  <Item Name> (118)
Filgotinib£¨GLPG0643)

>  <Catalog Number> (118)
S7605

>  <Synonyms> (118)
N/A

>  <Target> (118)
JAK

>  <Form> (118)
Free Base

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

>  <CAS Number> (118)
1206161-97-8

>  <ALogP> (118)
2.461

>  <HBA_Count> (118)
5

>  <HBD_Count> (118)
1

>  <Num_RotatableBonds> (118)
5

>  <Name> (118)
filgotinib.cdx

$$$$
PFI-3.cdx
csChFnd80/04261716222D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2646    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  1  0  0  0
 14 16  1  1  0  0  0
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C19H19N3O2

>  <MolWeight> (119)
321.37306

>  <Item Name> (119)
PFI-3

>  <Catalog Number> (119)
S7315

>  <Synonyms> (119)
N/A

>  <Target> (119)
Epigenetic Reader Domain

>  <Form> (119)
Free Base

>  <URL> (119)
http://www.selleckchem.com/products/pfi-3.html

>  <ALogP> (119)
2.438

>  <HBA_Count> (119)
2

>  <HBD_Count> (119)
1

>  <Num_RotatableBonds> (119)
4

>  <Name> (119)
PFI-3.cdx

$$$$
Anacardic Acid.cdx
csChFnd80/04261716222D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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 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 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
M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C22H36O3

>  <MolWeight> (120)
348.51944

>  <Item Name> (120)
Anacardic Acid

>  <Catalog Number> (120)
S7582

>  <Synonyms> (120)
6-pentadecylsalicylic Acid

>  <Target> (120)
Histone Acetyltransferase

>  <Form> (120)
Free Base

>  <URL> (120)
http://www.selleckchem.com/products/anacardic-acid.html

>  <CAS Number> (120)
16611-84-0

>  <ALogP> (120)
8.09

>  <HBA_Count> (120)
1

>  <HBD_Count> (120)
1

>  <Num_RotatableBonds> (120)
15

>  <Name> (120)
Anacardic Acid.cdx

$$$$
PFI-2.cdx
csChFnd80/04261716222D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C23H25F4N3O3S

>  <MolWeight> (121)
499.5215128

>  <Item Name> (121)
PFI-2

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S7294

>  <Synonyms> (121)
N/A

>  <Target> (121)
Histone Methyltransferase

>  <Form> (121)
Free Base

>  <URL> (121)
http://www.selleckchem.com/products/pfi-2.html

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1627676-59-8

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3.268

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3

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2

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7

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PFI-2.cdx

$$$$
MI-3.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C18H25N5S2

>  <MolWeight> (122)
375.5546

>  <Item Name> (122)
MI-3 (Menin-MLL Inhibitor)

>  <Catalog Number> (122)
S7619

>  <Synonyms> (122)
N/A

>  <Target> (122)
Histone Methyltransferase

>  <Form> (122)
Free Base

>  <URL> (122)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

>  <CAS Number> (122)
1271738-59-0

>  <ALogP> (122)
4.168

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3

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0

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3

>  <Name> (122)
MI-3.cdx

$$$$
Remodelin.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C15H15BrN4S

>  <MolWeight> (123)
363.2754

>  <Item Name> (123)
Remodelin

>  <Catalog Number> (123)
S7641

>  <Synonyms> (123)
N/A

>  <Target> (123)
Histone Acetyltransferase

>  <Form> (123)
Free Base

>  <URL> (123)
http://www.selleckchem.com/products/remodelin.html

>  <CAS Number> (123)
1622921-15-6

>  <ALogP> (123)
4.031

>  <HBA_Count> (123)
2

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1

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3

>  <Name> (123)
Remodelin.cdx

$$$$
PJ34.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C17H18ClN3O2

>  <MolWeight> (124)
331.79672

>  <Item Name> (124)
PJ34 hcl

>  <Catalog Number> (124)
S7300

>  <Synonyms> (124)
N/A

>  <Target> (124)
PARP

>  <Form> (124)
Salt

>  <URL> (124)
http://www.selleckchem.com/products/pj34-hcl.html

>  <CAS Number> (124)
344458-15-7

>  <ALogP> (124)
1.811

>  <HBA_Count> (124)
2

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2

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3

>  <Name> (124)
PJ34.cdx

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/04261716222D

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>  <Mol_ID> (125)
125

>  <Formula> (125)
C18H25N5S2

>  <MolWeight> (125)
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>  <Item Name> (125)
MI-2 (Menin-MLL inhibitor)

>  <Catalog Number> (125)
S7618

>  <Synonyms> (125)
N/A

>  <Target> (125)
Histone Methyltransferase

>  <Form> (125)
Free Base

>  <URL> (125)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

>  <CAS Number> (125)
1271738-62-5

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0

>  <Num_RotatableBonds> (125)
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>  <Name> (125)
MI-2 (Menin-MLL inhibitor).cdx

$$$$
UNC0631.cdx
csChFnd80/04261716222D

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Histone Methyltransferase

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Histone Methyltransferase

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Epigenetic Reader Domain

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Histone Demethylase

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Histone Methyltransferase

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Histone Demethylase

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Salt

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Histone Methyltransferase

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S7581

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>  <Target> (138)
Histone Demethylase

>  <Form> (138)
Free Base

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http://www.selleckchem.com/products/gsk-j1.html

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1373422-53-7

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GSK J1.cdx

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>  <Mol_ID> (139)
139

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CPI-169

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N/A

>  <Target> (139)
Histone Methyltransferase

>  <Form> (139)
Free Base

>  <URL> (139)
http://www.selleckchem.com/products/cpi-169.html

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1450655-76-1

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1.74

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CPI-169.cdx

$$$$
GSK503.cdx
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>  <Mol_ID> (140)
140

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GSK503

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N/A

>  <Target> (140)
Histone Methyltransferase

>  <Form> (140)
Free Base

>  <URL> (140)
http://www.selleckchem.com/products/gsk503.html

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1346572-63-1

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3

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2

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GSK503.cdx

$$$$
CPI-360.cdx
csChFnd80/04261716222D

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141

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C25H31N3O4

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CPI-360

>  <Catalog Number> (141)
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>  <Synonyms> (141)
N/A

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Histone Methyltransferase

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>  <Target> (146)
Others

>  <Form> (146)
Free Base

>  <URL> (146)
http://www.selleckchem.com/products/clevudine-levovir.html

>  <CAS Number> (146)
163252-36-6

>  <ALogP> (146)
-1.065

>  <HBA_Count> (146)
3

>  <HBD_Count> (146)
3

>  <Num_RotatableBonds> (146)
2

>  <Name> (146)
Clevudine.cdx

$$$$
AR-42.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C18H20N2O3

>  <MolWeight> (147)
312.363

>  <Item Name> (147)
AR-42 (HDAC-42)

>  <Catalog Number> (147)
S2244

>  <Synonyms> (147)
OSU-HDAC42

>  <Target> (147)
HDAC

>  <Form> (147)
Free Base

>  <URL> (147)
http://www.selleckchem.com/products/AR-42-HDAC-42.html

>  <CAS Number> (147)
935881-37-1

>  <ALogP> (147)
2.834

>  <HBA_Count> (147)
2

>  <HBD_Count> (147)
2

>  <Num_RotatableBonds> (147)
5

>  <Name> (147)
AR-42.cdx

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/04261716222D

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>  <Mol_ID> (148)
148

>  <Formula> (148)
C9H12ClF2N3O4

>  <MolWeight> (148)
299.6590864

>  <Item Name> (148)
Gemcitabine HCl (Gemzar)

>  <Catalog Number> (148)
S1149

>  <Synonyms> (148)
Gemzar

>  <Target> (148)
DNA/RNA Synthesis

>  <Form> (148)
Hydrochloride

>  <URL> (148)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

>  <CAS Number> (148)
122111-03-9

>  <ALogP> (148)
-1.012

>  <HBA_Count> (148)
3

>  <HBD_Count> (148)
3

>  <Num_RotatableBonds> (148)
2

>  <Name> (148)
Gemcitabine hydrochloride.cdx

$$$$
Carboplatin.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (149)
149

>  <Formula> (149)
C6H12N2O4Pt

>  <MolWeight> (149)
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>  <Item Name> (149)
Carboplatin

>  <Catalog Number> (149)
S1215

>  <Synonyms> (149)
Paraplatin

>  <Target> (149)
DNA/RNA Synthesis

>  <Form> (149)
Free Base

>  <URL> (149)
http://www.selleckchem.com/products/Carboplatin.html

>  <CAS Number> (149)
41575-94-4

>  <ALogP> (149)
-3

>  <HBA_Count> (149)
0

>  <HBD_Count> (149)
0

>  <Num_RotatableBonds> (149)
2

>  <Name> (149)
Carboplatin.cdx

$$$$
Mizoribine.cdx
csChFnd80/04261716222D

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>  <Mol_ID> (150)
150

>  <Formula> (150)
C9H13N3O6

>  <MolWeight> (150)
259.21602

>  <Item Name> (150)
Mizoribine (Bredinin)

>  <Catalog Number> (150)
S1384

>  <Synonyms> (150)
HE 69

>  <Target> (150)
DNA/RNA Synthesis

>  <Form> (150)
Free Base

>  <URL> (150)
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>  <CAS Number> (150)
50924-49-7

>  <ALogP> (150)
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>  <HBA_Count> (150)
3

>  <HBD_Count> (150)
5

>  <Num_RotatableBonds> (150)
3

>  <Name> (150)
Mizoribine.cdx

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/04261716222D

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>  <Mol_ID> (151)
151

>  <Formula> (151)
C9H13N3O5

>  <MolWeight> (151)
243.21662

>  <Item Name> (151)
Cytarabine

>  <Catalog Number> (151)
S1648

>  <Synonyms> (151)
N/A

>  <Target> (151)
Others

>  <Form> (151)
Free Base

>  <URL> (151)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

>  <CAS Number> (151)
147-94-4

>  <ALogP> (151)
-2.396

>  <HBA_Count> (151)
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4

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>  <Name> (151)
DEPOCYT (cytarabine).cdx

$$$$
Daphnetin.cdx
csChFnd80/04261716222D

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>  <Mol_ID> (152)
152

>  <Formula> (152)
C9H6O4

>  <MolWeight> (152)
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>  <Item Name> (152)
Daphnetin

>  <Catalog Number> (152)
S2554

>  <Synonyms> (152)
N/A

>  <Target> (152)
DNA/RNA Synthesis

>  <Form> (152)
Free Base

>  <URL> (152)
http://www.selleckchem.com/products/Daphnetin.html

>  <CAS Number> (152)
486-35-1

>  <ALogP> (152)
1.415

>  <HBA_Count> (152)
2

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2

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0

>  <Name> (152)
Daphnetin.cdx

$$$$
GSK1070916.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (153)
153

>  <Formula> (153)
C30H33N7O

>  <MolWeight> (153)
507.62932

>  <Item Name> (153)
GSK1070916

>  <Catalog Number> (153)
S2740

>  <Synonyms> (153)
N/A

>  <Target> (153)
Aurora Kinase

>  <Form> (153)
Free Base

>  <URL> (153)
http://www.selleckchem.com/products/gsk1070916.html

>  <CAS Number> (153)
942918-07-2

>  <ALogP> (153)
4.841

>  <HBA_Count> (153)
3

>  <HBD_Count> (153)
2

>  <Num_RotatableBonds> (153)
7

>  <Name> (153)
GSK1070916.cdx

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/04261716222D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C12H20ClN3O

>  <MolWeight> (154)
257.7597

>  <Item Name> (154)
Procarbazine hydrochloride (Matulane)

>  <Catalog Number> (154)
S1995

>  <Synonyms> (154)
N/A

>  <Target> (154)
DNA/RNA

>  <Form> (154)
Hydrochloride

>  <URL> (154)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

>  <CAS Number> (154)
366-70-1

>  <ALogP> (154)
1.12

>  <HBA_Count> (154)
1

>  <HBD_Count> (154)
3

>  <Num_RotatableBonds> (154)
5

>  <Name> (154)
Procarbazine Hydrochloride.cdx

$$$$
Pirarubicin.cdx
csChFnd80/04261716222D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (155)
155

>  <Formula> (155)
C32H37NO12

>  <MolWeight> (155)
627.63568

>  <Item Name> (155)
Pirarubicin

>  <Catalog Number> (155)
S1393

>  <Synonyms> (155)
N/A

>  <Target> (155)
Topoisomerase

>  <Form> (155)
Free Base

>  <URL> (155)
http://www.selleckchem.com/products/Pirarubicin.html

>  <CAS Number> (155)
72496-41-4

>  <ALogP> (155)
1.091

>  <HBA_Count> (155)
8

>  <HBD_Count> (155)
4

>  <Num_RotatableBonds> (155)
7

>  <Name> (155)
Pirarubicin.cdx

$$$$
Daptomycin.cdx
csChFnd80/04261716222D

115118  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C72H101N17O26

>  <MolWeight> (156)
1620.67064

>  <Item Name> (156)
Daptomycin

>  <Catalog Number> (156)
S1373

>  <Synonyms> (156)
LY146032

>  <Target> (156)
Others

>  <Form> (156)
Free Base

>  <URL> (156)
http://www.selleckchem.com/products/Daptomycin.html

>  <CAS Number> (156)
103060-53-3

>  <ALogP> (156)
-7.895

>  <HBA_Count> (156)
21

>  <HBD_Count> (156)
18

>  <Num_RotatableBonds> (156)
35

>  <Name> (156)
Daptomycin.cdx

$$$$
Nedaplatin.cdx
csChFnd80/04261716222D

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;H3N
A    8
;H3N
M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C2H2O3PtR2

>  <MolWeight> (157)
269.11348

>  <Item Name> (157)
Nedaplatin

>  <Catalog Number> (157)
S1826

>  <Synonyms> (157)
N/A

>  <Target> (157)
DNA/RNA Synthesis

>  <Form> (157)
Free Base

>  <URL> (157)
http://www.selleckchem.com/products/nedaplatin-aqupla.html

>  <CAS Number> (157)
95734-82-0

>  <ALogP> (157)
1.142

>  <HBA_Count> (157)
3

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0

>  <Num_RotatableBonds> (157)
0

>  <Name> (157)
Nedaplatin.cdx

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (158)
158

>  <Formula> (158)
C25H31N7O6

>  <MolWeight> (158)
525.55694

>  <Item Name> (158)
ENMD-2076 L-(+)-Tartaric acid

>  <Catalog Number> (158)
S2018

>  <Synonyms> (158)
N/A

>  <Target> (158)
FLT3

>  <Form> (158)
Free Base

>  <URL> (158)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

>  <CAS Number> (158)
1291074-87-7

>  <ALogP> (158)
-0.683

>  <HBA_Count> (158)
5

>  <HBD_Count> (158)
4

>  <Num_RotatableBonds> (158)
8

>  <Name> (158)
ENMD-2076 L-(+)-Tartaric acid.cdx

$$$$
Blasticidin S hydrochloride.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C17H27ClN8O5

>  <MolWeight> (159)
458.89988

>  <Item Name> (159)
Blasticidin S HCl

>  <Catalog Number> (159)
S7419

>  <Synonyms> (159)
Blasticidine S HCl

>  <Target> (159)
DNA/RNA Synthesis

>  <Form> (159)
Salt

>  <URL> (159)
http://www.selleckchem.com/products/blasticidin-s-hcl.html

>  <CAS Number> (159)
3513-03-9

>  <ALogP> (159)
-5.035

>  <HBA_Count> (159)
5

>  <HBD_Count> (159)
4

>  <Num_RotatableBonds> (159)
9

>  <Name> (159)
Blasticidin S hydrochloride.cdx

$$$$
LM-3334 VX-509.cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C18H19F3N6O

>  <MolWeight> (160)
392.3782696

>  <Item Name> (160)
Decernotinib (VX-509)

>  <Catalog Number> (160)
S7541

>  <Synonyms> (160)
N/A

>  <Target> (160)
JAK

>  <Form> (160)
Free Base

>  <URL> (160)
http://www.selleckchem.com/products/decernotinib-vx-509.html

>  <CAS Number> (160)
944842-54-0

>  <ALogP> (160)
2.747

>  <HBA_Count> (160)
4

>  <HBD_Count> (160)
3

>  <Num_RotatableBonds> (160)
7

>  <Name> (160)
LM-3334 VX-509.cdx

$$$$
Mitomycin C.cdx
csChFnd80/04261716222D

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 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C15H18N4O5

>  <MolWeight> (161)
334.32722

>  <Item Name> (161)
Mitomycin C

>  <Catalog Number> (161)
S8146

>  <Synonyms> (161)
N/A
N/A
N/A

>  <Target> (161)
DNA/RNA Synthesis

>  <Form> (161)
Free Base

>  <URL> (161)
http://www.selleckchem.com/products/mitomycin-c.html

>  <CAS Number> (161)
50-07-7

>  <ALogP> (161)
-1.547

>  <HBA_Count> (161)
5

>  <HBD_Count> (161)
3

>  <Num_RotatableBonds> (161)
4

>  <Name> (161)
Mitomycin C.cdx

$$$$
NVP-TNKS656.cdx
csChFnd80/04261716222D

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S7805

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N/A

>  <Target> (167)
Histone Methyltransferase

>  <Form> (167)
Salt

>  <URL> (167)
http://www.selleckchem.com/products/epz011989.html

>  <CAS Number> (167)
1598383-40-4(free base)

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EPZ011989.cdx

$$$$
AZ6102.cdx
csChFnd80/04261716222D

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S7767

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AZ-6102

>  <Target> (168)
PPAR

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Free Base

>  <URL> (168)
http://www.selleckchem.com/products/az6102.html

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1645286-75-4

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3

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>  <Name> (168)
AZ6102.cdx

$$$$
Oclacitinib maleate.cdx
csChFnd80/04261716222D

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>  <Mol_ID> (169)
170

>  <Formula> (169)
C19H27N5O6S

>  <MolWeight> (169)
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Oclacitinib maleate

>  <Catalog Number> (169)
S8195

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PF-03394197

>  <Target> (169)
JAK

>  <Form> (169)
Maleate

>  <URL> (169)
http://www.selleckchem.com/products/oclacitinib-maleate.html

>  <CAS Number> (169)
1640292-55-2

>  <ALogP> (169)
1.758

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6

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2

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7

>  <Name> (169)
Oclacitinib maleate.cdx

$$$$
PF-CBP1.cdx
csChFnd80/04261716222D

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>  <Mol_ID> (170)
171

>  <Formula> (170)
C29H37ClN4O3

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>  <Item Name> (170)
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>  <Catalog Number> (170)
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>  <Synonyms> (170)
N/A

>  <Target> (170)
Epigenetic Reader Domain

>  <Form> (170)
Salt

>  <URL> (170)
http://www.selleckchem.com/products/pf-cbp1.html

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PF-CBP1.cdx

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/04261716222D

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M  END
>  <Mol_ID> (171)
172

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C22H28N4O2

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EPZ015866, GSK3203591

>  <Target> (171)
Histone Methyltransferase

>  <Form> (171)
Free Base

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http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

>  <CAS Number> (171)
1616391-87-7

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2.467

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GSK591 (EPZ015866, GSK3203591).cdx

$$$$
HLCL-61.cdx
csChFnd80/04261716222D

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173

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S8209

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HLCL61

>  <Target> (172)
Histone Methyltransferase

>  <Form> (172)
Salt

>  <URL> (172)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

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1158279-20-9

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5.364

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1

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HLCL-61.cdx

$$$$
I-BRD9 (GSK602).cdx
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>  <Mol_ID> (173)
174

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GSK602

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Epigenetic Reader Domain

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Free Base

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http://www.selleckchem.com/products/i-brd9-gsk602.html

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1714146-59-4

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1

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>  <Name> (173)
I-BRD9 (GSK602).cdx

$$$$
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Epigenetic Reader Domain

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Histone Methyltransferase

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HDAC

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Ellagic acid.cdx
csChFnd80/04261716222D

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C14H6O8

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Ellagic acid

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Topoisomerases

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Free Base

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476-66-4

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Ellagic acid.cdx

$$$$
ofloxacin.cdx
csChFnd80/04261716222D

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Ofloxacin (Floxin)

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DL-8280, HOE-280, Exocin, Flobacin, Floxin, Floxil, Monoflocet

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Free Base

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82419-36-1

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ofloxacin.cdx

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/04261716222D

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182

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C16H18FN3O3

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Norfloxacin (Norxacin)

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Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin

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Free Base

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http://www.selleckchem.com/products/Norfloxacin(Norxacin).html

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70458-96-7

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CHIBROXIN (norfloxacin).cdx

$$$$
