CFam Chemical Families Database
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You are searching for "CFAMM00444503" 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 CFAMM00444503
Family CFFBM17814 Tyrosine-protein kinase ITK/TSK inhibitor AGN-PC-077RCV family
Superfamily CFSBM7156 Acyl-CoA desaturase and Tyrosine-protein kinase ITK/TSK Binder Superfamily
Class CFCBM1723 Class 4773
External ID CHEMBL490269 External Source CHEMBL
PubChem CID 44588996 Functional Category Bioactive
Molecule Name AGN-PC-077RCW
IUPAC Name N-[1-(3-amino-3-oxopropyl)-5-[methyl-[4-(trifluoromethoxy)benzoyl]amino]benzimidazol-2-yl]-4-cyanobenzamide
Synonyms CHEBI:614763;N-[1-(3-amino-3-oxopropyl)-5-[methyl-[4-(trifluoromethoxy)benzoyl]amino]benzimidazol-2-yl]-4-cyanobenzamide
InChi InChI=1S/C27H21F3N6O4/c1-35(25(39)18-6-9-20(10-7-18)40-27(28,29)30)19-8-11-22-21(14-19)33-26(36(22)13-12-23(32)37)34-24(38)17-4-2-16(15-31)3-5-17/h2-11,14H,12-13H2,1H3,(H2,32,37)(H,33,34,38)
InChiKey JMGKVLRBHUHFFV-UHFFFAOYSA-N
Formula C27H21F3N6O4 Molecular Weight 550.49
Cross Link CHEMBL490269
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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