CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00275575" in compound.

Total 1 results found.

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 CFAMM00275575
Family CFFID2750 Sodium-dependent noradrenaline transporter Inhibitor WAY-256805 Family
Superfamily CFSID1964 Sodium-dependent noradrenaline transporter Inhibitor WAY-256805 Superfamily
Class CFCAD142 Class 142
External ID CHEMBL469667 External Source CHEMBL
PubChem CID 16660020 Functional Category Bioactive
Molecule Name SureCN3960306
IUPAC Name 1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
Synonyms AGN-PC-0143OJ;CHEBI:547684;1-[2-(4-methylpiperazin-1-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
InChi InChI=1S/C20H29F3N2O2.2ClH/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)27-20(21,22)23;;/h5-7,14,18,26H,2-4,8-13,15H2,1H3;2*1H
InChiKey DJVJRXDBDBMWFD-UHFFFAOYSA-N
Formula C20H31Cl2F3N2O2 Molecular Weight 459.37
Cross Link CHEMBL469667
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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