CFam Chemical Families Database
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You are searching for "CFAMM00487683" in compound.

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CFAM Mol ID CFAMM00487683
Family CFFBM29055 Cytochrome P450 2D6 inhibitor AGN-PC-0509UI family
Superfamily CFSBM339 Mu-type opioid receptor and Delta-type opioid receptor Binder Superfamily 6
Class CFCID731 Class 2081
External ID CHEMBL520612 External Source CHEMBL
PubChem CID 25208406 Functional Category Bioactive
Molecule Name AGN-PC-0509UI
IUPAC Name 6,8-dimethoxy-1,3-dimethyl-2-(4-methylphenyl)isoquinolin-2-ium;tetrafluoroborate
Synonyms CHEBI:574525;6,8-dimethoxy-1,3-dimethyl-2-(4-methylphenyl)isoquinolin-2-ium;tetrafluoroborate
InChi InChI=1S/C20H22NO2.BF4/c1-13-6-8-17(9-7-13)21-14(2)10-16-11-18(22-4)12-19(23-5)20(16)15(21)3;2-1(3,4)5/h6-12H,1-5H3;/q+1;-1
InChiKey DINXRUJLCKSYEA-UHFFFAOYSA-N
Formula C20H22BF4NO2 Molecular Weight 395.20
Cross Link CHEMBL520612
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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