CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00442016" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00442016
Family CFFBM17357 Tyrosine-protein kinase ITK/TSK inhibitor AGN-PC-077RDJ family
Superfamily CFSCD732 CC-486 Superfamily
Class CFCAD716 Class 716
External ID CHEMBL491076 External Source CHEMBL
PubChem CID 44589017 Functional Category Bioactive
Molecule Name AGN-PC-077RDF
IUPAC Name 4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-oxo-3-piperazin-1-ylpropyl)benzimidazol-2-yl]benzamide
Synonyms CHEBI:614828;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-oxo-3-piperazin-1-ylpropyl)benzimidazol-2-yl]benzamide
InChi InChI=1S/C30H35N7O3/c1-35(29(40)23-5-3-2-4-6-23)24-11-12-26-25(19-24)33-30(34-28(39)22-9-7-21(20-31)8-10-22)37(26)16-13-27(38)36-17-14-32-15-18-36/h7-12,19,23,32H,2-6,13-18H2,1H3,(H,33,34,39)
Formula C30H35N7O3 Molecular Weight 541.64
Cross Link CHEMBL491076

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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