CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00331612" in compound.

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CFAM Mol ID CFAMM00331612
Family CFFBM2235 Carbonic anhydrase 9 and Carbonic anhydrase 2 inhibitor AGN-PC-080V6R family
Superfamily CFSBM1246 Prelamin-A/C and Carbonic anhydrase 9 Binder Superfamily 2
Class CFCAD122 Class 122
External ID CHEMBL187494 External Source CHEMBL
PubChem CID 5329842 Functional Category Bioactive
Molecule Name urea deriv. 36
IUPAC Name 1-[4-[methyl-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
Synonyms GW830263A;AC1NS7QW;SureCN4804995;NCGC00242130-01;AB01092219-01;1-[4-[methyl-[2-[4-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
InChi InChI=1S/C32H36N8O4S/c1-38-18-20-40(21-19-38)30(41)24-6-10-26(11-7-24)35-32(42)36-27-12-14-28(15-13-27)39(2)29-16-17-33-31(37-29)34-25-8-4-23(5-9-25)22-45(3,43)44/h4-17H,18-22H2,1-3H3,(H,33,34,37)(H2,35,36,42)
Formula C32H36N8O4S Molecular Weight 628.74
Cross Link CHEMBL187494

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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