CFam Chemical Families Database
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You are searching for "CFAMM00047359" 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 CFAMM00047359
Family CFFAD293 5-hydroxytryptamine receptor 3A Ligand Palonosetron Family
Superfamily CFSAD258 5-hydroxytryptamine receptor 3A Ligand Palonosetron Superfamily
Class CFCAD246 Class 246
External ID CHEMBL480210 External Source CHEMBL
PubChem CID 44570528 Functional Category Bioactive
Molecule Name [1-[2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone
IUPAC Name [1-[2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]benzoyl]piperidin-4-yl]-(4-fluorophenyl)methanone
Synonyms CHEBI:573479
InChi InChI=1S/C32H36FN3O2/c1-22-19-35(20-23(2)34-22)21-24-7-9-25(10-8-24)29-5-3-4-6-30(29)32(38)36-17-15-27(16-18-36)31(37)26-11-13-28(33)14-12-26/h3-14,22-23,27,34H,15-21H2,1-2H3/t22-,23+
InChiKey FSYXVLMRBONNFA-ZRZAMGCNSA-N
Formula C32H36FN3O2 Molecular Weight 513.65
Cross Link CHEMBL480210
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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