CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00042286" 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.

Search Results

CFAM Mol ID CFAMM00042286
Family CFFAD239 5-hydroxytryptamine receptor 3A Ligand Granisetron Family
Superfamily CFSAD215 5-hydroxytryptamine receptor 3A Ligand Granisetron Superfamily
Class CFCAD208 Class 208
External ID CHEMBL1081252 External Source CHEMBL
PubChem CID 46880449 Functional Category Bioactive
Molecule Name SureCN8231517
IUPAC Name (2R)-2-[(4S)-1-ethyl-3-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
Synonyms CHEBI:713082
InChi InChI=1S/C27H31F3N4O/c1-4-34-23-16-17-33(25(26(35)31-3)20-8-6-5-7-9-20)22(24(23)18(2)32-34)15-12-19-10-13-21(14-11-19)27(28,29)30/h5-11,13-14,22,25H,4,12,15-17H2,1-3H3,(H,31,35)/t22-,25+/m0/s1
InChiKey VDTFQQQTVJPZLY-WIOPSUGQSA-N
Formula C27H31F3N4O Molecular Weight 484.56
Cross Link CHEMBL1081252
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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