CFam Chemical Families Database
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You are searching for "CFAMM00047429" 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 CFAMM00047429
Family CFFAD293 5-hydroxytryptamine receptor 3A Ligand Palonosetron Family
Superfamily CFSAD258 5-hydroxytryptamine receptor 3A Ligand Palonosetron Superfamily
Class CFCAD246 Class 246
External ID CHEMBL427514 External Source CHEMBL
PubChem CID 44396809 Functional Category Bioactive
Molecule Name AGN-PC-075H3M
IUPAC Name [2-benzyl-4-(naphthalen-1-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
Synonyms CHEBI:413999;[2-benzyl-4-(naphthalen-1-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
InChi InChI=1S/C32H34N2O/c1-23-17-24(2)19-28(18-23)32(35)34-16-15-29(21-30(34)20-25-9-4-3-5-10-25)33-22-27-13-8-12-26-11-6-7-14-31(26)27/h3-14,17-19,29-30,33H,15-16,20-22H2,1-2H3
InChiKey XQCZPAUCNTZZCI-UHFFFAOYSA-N
Formula C32H34N2O Molecular Weight 462.63
Cross Link CHEMBL427514
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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