CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00001616" 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 CFAMM00001616
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 CHEMBL360987 External Source CHEMBL
PubChem CID 24825382 Functional Category Bioactive
Molecule Name tryptamine sulfonamide, 13
IUPAC Name N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzenesulfonamide
Synonyms SureCN13234508;AGN-PC-04S2W5;[1,1'-Biphenyl]-4-sulfonamide, N-[2-(1H-indol-3-yl)ethyl]-3'-methyl-
InChi InChI=1S/C23H22N2O2S/c1-17-5-4-6-19(15-17)18-9-11-21(12-10-18)28(26,27)25-14-13-20-16-24-23-8-3-2-7-22(20)23/h2-12,15-16,24-25H,13-14H2,1H3
InChiKey NKYYBYXPJLRLBB-UHFFFAOYSA-N
Formula C23H22N2O2S Molecular Weight 390.50
Cross Link CHEMBL360987
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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