CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00170816" in compound.

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CFAM Mol ID CFAMM00170816
Family CFFCD744 Apricoxib family
Superfamily CFSCD655 Apricoxib Superfamily
Class CFCAD198 Class 198
External ID CHEMBL518153 External Source CHEMBL
PubChem CID 44568062 Functional Category Bioactive
Molecule Name AGN-PC-078ZA5
IUPAC Name 6-(3-methoxyphenyl)sulfonyl-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
Synonyms CHEBI:567488;6-(3-methoxyphenyl)sulfonyl-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
InChi InChI=1S/C20H22N2O3S/c1-21-12-10-18-17-8-3-4-9-19(17)22(20(18)11-13-21)26(23,24)16-7-5-6-15(14-16)25-2/h3-9,14H,10-13H2,1-2H3
Formula C20H22N2O3S Molecular Weight 370.47
Cross Link CHEMBL518153

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).

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National University of Singapore, Singapore

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