CFam Chemical Families Database
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You are searching for "CFAMM00442020" in compound.

Total 1 results found.

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 CFAMM00442020
Family CFFBM17357 Tyrosine-protein kinase ITK/TSK inhibitor AGN-PC-077RDJ family
Superfamily CFSCD732 CC-486 Superfamily
Class CFCAD716 Class 716
External ID CHEMBL522085 External Source CHEMBL
PubChem CID 44588945 Functional Category Bioactive
Molecule Name AGN-PC-077RBO
IUPAC Name 4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]benzamide
Synonyms CHEBI:614618;4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]benzamide
InChi InChI=1S/C32H33N5O3/c1-36(31(39)25-6-4-3-5-7-25)26-14-17-29-28(20-26)34-32(35-30(38)24-12-8-23(21-33)9-13-24)37(29)19-18-22-10-15-27(40-2)16-11-22/h8-17,20,25H,3-7,18-19H2,1-2H3,(H,34,35,38)
InChiKey UFRHZESHLOCDBV-UHFFFAOYSA-N
Formula C32H33N5O3 Molecular Weight 535.64
Cross Link CHEMBL522085
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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