CFam Chemical Families Database
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You are searching for "CFAMM00438839" 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 CFAMM00438839
Family CFFBM16620 Cannabinoid receptor 2 ligand AGN-PC-03LKW5 family
Superfamily CFSBM1014 Type-1 angiotensin II receptor and Coagulation factor X Binder Superfamily
Class CFCCD443 Class 1256
External ID CHEMBL209054 External Source CHEMBL
PubChem CID 44414092 Functional Category Bioactive
Molecule Name AGN-PC-0763PQ
IUPAC Name 2-[(4,6-difluoro-1H-benzimidazol-2-yl)-difluoromethyl]-N-[2-(4-fluorophenoxy)-1-hydroxyethyl]-3-methylbenzimidazole-5-carboxamide
Synonyms CHEBI:454050;2-[(4,6-difluoro-1H-benzimidazol-2-yl)-difluoromethyl]-N-[2-(4-fluorophenoxy)-1-hydroxyethyl]-3-methylbenzimidazole-5-carboxamide
InChi InChI=1S/C25H18F5N5O3/c1-35-19-8-12(22(37)33-20(36)11-38-15-5-3-13(26)4-6-15)2-7-17(19)32-24(35)25(29,30)23-31-18-10-14(27)9-16(28)21(18)34-23/h2-10,20,36H,11H2,1H3,(H,31,34)(H,33,37)
InChiKey FTRYOJKMYMKUCT-UHFFFAOYSA-N
Formula C25H18F5N5O3 Molecular Weight 531.43
Cross Link CHEMBL209054
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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