CFam Chemical Families Database
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You are searching for "CFAMM00343279" in compound.

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CFAM Mol ID CFAMM00343279
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 19023295 External Source PubChem
PubChem CID 19023295 Functional Category Patent Compound
Molecule Name AGN-PC-025IPP
IUPAC Name ethyl 4-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzoate
Synonyms SureCN9303204;ethyl 4-[(6-nitro-1H-benzimidazol-2-yl)methyl]benzoate
InChi InChI=1S/C17H15N3O4/c1-2-24-17(21)12-5-3-11(4-6-12)9-16-18-14-8-7-13(20(22)23)10-15(14)19-16/h3-8,10H,2,9H2,1H3,(H,18,19)
InChiKey YZWNTGRFIHVIFD-UHFFFAOYSA-N
Formula C17H15N3O4 Molecular Weight 325.32
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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