CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00386041" 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 CFAMM00386041
Family CFFBM8170 NS5B protein inhibitor (2E)-1-cyclohexyl-2-(2-fluoro-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-benzimidazole-5-carboxylic acid family
Superfamily CFSBM3956 NS5B protein and Bile acid receptor Binder Superfamily
Class CFCCD440 Class 1253
External ID 22508768 External Source PubChem
PubChem CID 22508768 Functional Category Patent Compound
Molecule Name AGN-PC-03QDFA
IUPAC Name ethyl 3-[(2-chloro-4-hydroxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
Synonyms SureCN6301170;ethyl 3-[(2-chloro-4-hydroxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
InChi InChI=1S/C18H17ClN2O3/c1-3-24-18(23)12-5-7-16-17(8-12)21(11(2)20-16)10-13-4-6-14(22)9-15(13)19/h4-9,22H,3,10H2,1-2H3
InChiKey CTGAGCRDYHVFAX-UHFFFAOYSA-N
Formula C18H17ClN2O3 Molecular Weight 344.79
Cross Link
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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