CFam Chemical Families Database
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You are searching for "CFAMM00403240" in compound.

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CFAM Mol ID CFAMM00403240
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 CHEMBL2043430 External Source CHEMBL
PubChem CID 2880709 Functional Category Bioactive
Molecule Name N-[3-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
IUPAC Name N-[3-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Synonyms F0882-0550;CBMicro_013089;AC1MEMLL;Oprea1_214137;Oprea1_723252;SureCN13679622;MolPort-002-179-965;CCG-3777;SMSF0011414;ZINC05062047
InChi InChI=1S/C22H17N3O3/c26-22(15-8-9-19-20(13-15)28-11-10-27-19)23-16-5-3-4-14(12-16)21-24-17-6-1-2-7-18(17)25-21/h1-9,12-13H,10-11H2,(H,23,26)(H,24,25)
InChiKey GFIVAICXNHIFGK-UHFFFAOYSA-N
Formula C22H17N3O3 Molecular Weight 371.39
Cross Link CHEMBL2043430
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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