CFam Chemical Families Database
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You are searching for "CFAMM00170823" in compound.

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CFAM Mol ID CFAMM00170823
Family CFFCD744 Apricoxib family
Superfamily CFSCD655 Apricoxib Superfamily
Class CFCAD198 Class 198
External ID CHEMBL479548 External Source CHEMBL
PubChem CID 24894055 Functional Category Bioactive
Molecule Name AGN-PC-04TF7W
IUPAC Name 6-(2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
Synonyms CHEBI:567426;6-(2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
InChi InChI=1S/C19H20N2O3S/c1-24-18-8-4-5-9-19(18)25(22,23)21-16-7-3-2-6-14(16)15-10-12-20-13-11-17(15)21/h2-9,20H,10-13H2,1H3
InChiKey PBVVAYNTOZMIGX-UHFFFAOYSA-N
Formula C19H20N2O3S Molecular Weight 356.44
Cross Link CHEMBL479548
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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