CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00343280" 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 CFAMM00343280
Family CFFBM3093 Poly [ADP-ribose] polymerase 1 inhibitor ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoate family
Superfamily CFSID864 Poly [ADP-ribose] polymerase 1 Inhibitor 2-(3'-methoxyphenyl) Benzimidazole-4-carboxamide Superfamily
Class CFCID106 Class 1456
External ID 54183352 External Source PubChem
PubChem CID 54183352 Functional Category Patent Compound
Molecule Name AGN-PC-0A4AF9
IUPAC Name ethyl 2-(trifluoromethyl)-1H-benzimidazole-4-carboxylate
Synonyms SureCN8599112;KB-261682;1h-benzimidazole-7-carboxylic acid,2-(trifluoromethyl)-,ethyl ester;1H-Benzimidazole-4-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester;189045-27-0
InChi InChI=1S/C11H9F3N2O2/c1-2-18-9(17)6-4-3-5-7-8(6)16-10(15-7)11(12,13)14/h3-5H,2H2,1H3,(H,15,16)
InChiKey PDKIATGBMSLIHG-UHFFFAOYSA-N
Formula C11H9F3N2O2 Molecular Weight 258.20
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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