CFam Chemical Families Database
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You are searching for "CFAMM00426293" in compound.

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CFAM Mol ID CFAMM00426293
Family CFFBM14115 Histamine H3 receptor and Sodium-dependent serotonin transporter ligand 2-[4-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-2-(methylaminomethyl)phenoxy]benzonitrile family
Superfamily CFSID1133 Peroxisome proliferator-activated receptor gamma and Peroxisome proliferator-activated receptor alpha Ligand KRP-297 Superfamily
Class CFCAD216 Class 216
External ID CHEMBL402286 External Source CHEMBL
PubChem CID 24856015 Functional Category Bioactive
Molecule Name (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]methanone
IUPAC Name (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]methanone
Synonyms AGN-PC-04SP4J;SureCN4261973;(4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]methanone
InChi InChI=1S/C24H28F3N3O2S/c1-28-16-18-15-17(23(31)30-12-2-11-29(13-14-30)19-4-5-19)3-10-22(18)32-20-6-8-21(9-7-20)33-24(25,26)27/h3,6-10,15,19,28H,2,4-5,11-14,16H2,1H3
InChiKey PUCXAAZLYORUSG-UHFFFAOYSA-N
Formula C24H28F3N3O2S Molecular Weight 479.56
Cross Link CHEMBL402286
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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