CFam Chemical Families Database
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You are searching for "CFAMM00325834" in compound.

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CFAM Mol ID CFAMM00325834
Family CFFBM1629 Histamine H3 receptor ligand 1-(4-pentan-3-ylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone;hydrochloride family
Superfamily CFSID1795 Histamine H3 receptor Ligand (r)-1-(2-methoxyphenethyl)-2-methylpyrrolidine Superfamily
Class CFCCD398 Class 1211
External ID CHEMBL1202900 External Source CHEMBL
PubChem CID 49860498 Functional Category Bioactive
Molecule Name 1-(4-pentan-3-ylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone;hydrochloride
IUPAC Name 1-(4-pentan-3-ylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone;hydrochloride
Synonyms SureCN4378398;AGN-PC-088UI3;1-(4-pentan-3-ylpiperazin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone;hydrochloride
InChi InChI=1S/C18H25F3N2O2.ClH/c1-3-15(4-2)22-9-11-23(12-10-22)17(24)13-14-5-7-16(8-6-14)25-18(19,20)21;/h5-8,15H,3-4,9-13H2,1-2H3;1H
InChiKey SWKGSXSJPPYCJO-UHFFFAOYSA-N
Formula C18H26ClF3N2O2 Molecular Weight 394.86
Cross Link CHEMBL1202900
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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