CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00239273" 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 CFAMM00239273
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 56985541 External Source PubChem
PubChem CID 56985541 Functional Category Patent Compound
Molecule Name AGN-PC-0BLM53
IUPAC Name 2-ethyl-1-(4-methoxyphenyl)-1-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-ium
Synonyms 2-ethyl-1-(4-methoxyphenyl)-1-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-ium
InChi InChI=1S/C24H33N2O/c1-4-24(23-11-7-9-19-8-5-6-10-22(19)23)18-25-16-17-26(24,2)20-12-14-21(27-3)15-13-20/h5-6,8,10,12-15,23,25H,4,7,9,11,16-18H2,1-3H3/q+1
InChiKey NCQGXBPTNKSXIH-UHFFFAOYSA-N
Formula C24H33N2O+ Molecular Weight 365.53
Cross Link
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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