CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00239281" 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 CFAMM00239281
Family CFFID1457 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 1B Ligand 1-(7-methoxy-naphthalen-2-yl)-piperazine Family
Superfamily CFSAD680 Squalene monooxygenase Inhibitor Tolnaftate Superfamily
Class CFCAD615 Class 615
External ID CHEMBL232010 External Source CHEMBL
PubChem CID 44430381 Functional Category Bioactive
Molecule Name SureCN1033631
IUPAC Name 4-(4-methoxyphenyl)-2-methyl-7-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-3,4-dihydro-1H-isoquinoline
Synonyms AGN-PC-0768WL;CHEBI:494002;4-(4-methoxyphenyl)-2-methyl-7-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-3,4-dihydro-1H-isoquinoline
InChi InChI=1S/C31H36F3N3O2/c1-35-21-24-20-28(12-13-29(24)30(22-35)23-4-10-27(38-2)11-5-23)39-19-3-14-36-15-17-37(18-16-36)26-8-6-25(7-9-26)31(32,33)34/h4-13,20,30H,3,14-19,21-22H2,1-2H3
InChiKey WLVVWVWAWIFTAL-UHFFFAOYSA-N
Formula C31H36F3N3O2 Molecular Weight 539.63
Cross Link CHEMBL232010
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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