CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00001261" 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 CFAMM00001261
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 CHEMBL301747 External Source CHEMBL
PubChem CID 21336495 Functional Category Bioactive
Molecule Name AGN-PC-03A2J5
IUPAC Name 2-nitro-N-[[4-[(quinolin-4-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide
Synonyms CHEBI:176278;2-nitro-N-[[4-[(quinolin-4-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide
InChi InChI=1S/C24H28N4O4S/c29-28(30)23-7-3-4-8-24(23)33(31,32)27-16-19-11-9-18(10-12-19)15-25-17-20-13-14-26-22-6-2-1-5-21(20)22/h1-8,13-14,18-19,25,27H,9-12,15-17H2/t18-,19-
InChiKey JWYHGTVIHUDYLN-WGSAOQKQSA-N
Formula C24H28N4O4S Molecular Weight 468.57
Cross Link CHEMBL301747
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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