CFam Chemical Families Database
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You are searching for "CFAMM00113212" in compound.

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CFAM Mol ID CFAMM00113212
Family CFFAD925 Sarcoplasmic/endoplasmic reticulum calcium ATPase inhibitor quinoline derivative Piperaquine Family
Superfamily CFSAD133 Glutamate dehydrogenase, calcium ATPase binding quinoline derivative Chloroquine Piperaquine Superfamily
Class CFCAD131 Class 131
External ID CHEMBL268074 External Source CHEMBL
PubChem CID 23729420 Functional Category Bioactive
Molecule Name AGN-PC-048OLS
IUPAC Name 1-[5-[3,5-bis(5-quinolin-1-ium-1-ylpentyl)phenyl]pentyl]quinolin-1-ium;tribromide
Synonyms CHEBI:502493;1-[5-[3,5-bis(5-quinolin-1-ium-1-ylpentyl)phenyl]pentyl]quinolin-1-ium;tribromide
InChi InChI=1S/C48H54N3.3BrH/c1(13-31-49-34-16-25-43-22-7-10-28-46(43)49)4-19-40-37-41(20-5-2-14-32-50-35-17-26-44-23-8-11-29-47(44)50)39-42(38-40)21-6-3-15-33-51-36-18-27-45-24-9-12-30-48(45)51;;;/h7-12,16-18,22-30,34-39H,1-6,13-15,19-21,31-33H2;3*1H/q+3;;;/p-3
InChiKey YWHLHXDASNWZHK-UHFFFAOYSA-K
Formula C48H54N3.3Br Molecular Weight 912.67
Cross Link CHEMBL268074
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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