CFam Chemical Families Database
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You are searching for "CFAMM00447013" in compound.

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CFAM Mol ID CFAMM00447013
Family CFFBM18384 Lanosterol synthase inhibitor AGN-PC-07BZTX family
Superfamily CFSBM1102 Histamine H3 receptor and Sodium-dependent serotonin transporter Binder Superfamily 2
Class CFCCD316 Class 1129
External ID CHEMBL543877 External Source CHEMBL
PubChem CID 45261590 Functional Category Bioactive
Molecule Name AGN-PC-07BZTX
IUPAC Name 6-[1-(4-bromophenyl)isoquinolin-6-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine;hydrochloride
Synonyms 6-[1-(4-bromophenyl)isoquinolin-6-yl]oxy-N-methyl-N-prop-2-enylhexan-1-amine;hydrochloride
InChi InChI=1S/C25H29BrN2O.ClH/c1-3-16-28(2)17-6-4-5-7-18-29-23-12-13-24-21(19-23)14-15-27-25(24)20-8-10-22(26)11-9-20;/h3,8-15,19H,1,4-7,16-18H2,2H3;1H
InChiKey CXGOSVKAUSPPOE-UHFFFAOYSA-N
Formula C25H30BrClN2O Molecular Weight 489.88
Cross Link CHEMBL543877
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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