CFam Chemical Families Database
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You are searching for "CFAMM00001497" in compound.

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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 CFAMM00001497
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 CHEMBL595457 External Source CHEMBL
PubChem CID 24861191 Functional Category Bioactive
Molecule Name AGN-PC-04SSU2
IUPAC Name N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]propan-2-amine
Synonyms SureCN3571043;3-(phenylsulfonyl)-1H-indole, 18f;N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]propan-2-amine
InChi InChI=1S/C19H22N2O2S/c1-14(2)20-12-11-15-7-6-10-17-19(15)18(13-21-17)24(22,23)16-8-4-3-5-9-16/h3-10,13-14,20-21H,11-12H2,1-2H3
InChiKey BNWDHFFDZARHMY-UHFFFAOYSA-N
Formula C19H22N2O2S Molecular Weight 342.46
Cross Link CHEMBL595457
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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