CFam Chemical Families Database
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You are searching for "CFAMM00403239" in compound.

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CFAM Mol ID CFAMM00403239
Family CFFBM10616 Smoothened homolog inhibitor N-[3-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide family
Superfamily CFSID864 Poly [ADP-ribose] polymerase 1 Inhibitor 2-(3'-methoxyphenyl) Benzimidazole-4-carboxamide Superfamily
Class CFCID106 Class 1456
External ID CHEMBL472997 External Source CHEMBL
PubChem CID 44565645 Functional Category Bioactive
Molecule Name SureCN14615301
IUPAC Name N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Synonyms AGN-PC-078Y1C;CHEBI:559338;N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
InChi InChI=1S/C24H21ClN4O3/c1-29(2)16-5-7-19-20(13-16)28-23(27-19)17-12-15(4-6-18(17)25)26-24(30)14-3-8-21-22(11-14)32-10-9-31-21/h3-8,11-13H,9-10H2,1-2H3,(H,26,30)(H,27,28)
InChiKey VQVNUENBHILZPR-UHFFFAOYSA-N
Formula C24H21ClN4O3 Molecular Weight 448.90
Cross Link CHEMBL472997
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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