CFam Chemical Families Database
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You are searching for "CFAMM00001462" in compound.

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CFAM Mol ID CFAMM00001462
Family CFFAD8 5-hydroxytryptamine receptor 1B ligand triptan Almotriptan Family
Superfamily CFSAD8 5-hydroxytryptamine receptor 1B ligand triptan Almotriptan Superfamily
Class CFCAD8 Class 8
External ID CHEMBL596148 External Source CHEMBL
PubChem CID 24861136 Functional Category Bioactive
Molecule Name AGN-PC-04SSSJ
IUPAC Name 2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N,N-dimethylethanamine
Synonyms SureCN3566291;3-(phenylsulfonyl)-1H-indole, 18a;2-[3-(benzenesulfonyl)-1H-indol-4-yl]-N,N-dimethylethanamine
InChi InChI=1S/C18H20N2O2S/c1-20(2)12-11-14-7-6-10-16-18(14)17(13-19-16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19H,11-12H2,1-2H3
InChiKey AHCAMFIUFHMBFK-UHFFFAOYSA-N
Formula C18H20N2O2S Molecular Weight 328.43
Cross Link CHEMBL596148
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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