CFam Chemical Families Database
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You are searching for "CFAMM00042443" 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 CFAMM00042443
Family CFFAD239 5-hydroxytryptamine receptor 3A Ligand Granisetron Family
Superfamily CFSAD215 5-hydroxytryptamine receptor 3A Ligand Granisetron Superfamily
Class CFCAD208 Class 208
External ID CHEMBL284331 External Source CHEMBL
PubChem CID 44282641 Functional Category Bioactive
Molecule Name AGN-PC-073K3R
IUPAC Name 1-butyl-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
Synonyms CHEBI:149100;1-butyl-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
InChi InChI=1S/C20H28N4O/c1-3-4-15-24-19(17-11-7-5-8-12-17)16(2)18(21-24)20(25)22-23-13-9-6-10-14-23/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3,(H,22,25)
InChiKey DRRWDUBIDCVQJX-UHFFFAOYSA-N
Formula C20H28N4O Molecular Weight 340.46
Cross Link CHEMBL284331
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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