CFam Chemical Families Database
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You are searching for "CFAMM00170788" 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 CFAMM00170788
Family CFFCD744 Apricoxib family
Superfamily CFSCD655 Apricoxib Superfamily
Class CFCAD198 Class 198
External ID CHEMBL482099 External Source CHEMBL
PubChem CID 44568102 Functional Category Bioactive
Molecule Name AGN-PC-078ZB1
IUPAC Name 6-(3-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole
Synonyms CHEBI:567552;6-(3-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole
InChi InChI=1S/C27H28N2O3S/c1-32-22-10-7-11-23(20-22)33(30,31)29-26-13-6-5-12-24(26)25-15-18-28(19-16-27(25)29)17-14-21-8-3-2-4-9-21/h2-13,20H,14-19H2,1H3
InChiKey ZDTBJKAQUOZWHX-UHFFFAOYSA-N
Formula C27H28N2O3S Molecular Weight 460.59
Cross Link CHEMBL482099
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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