CFam Chemical Families Database
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You are searching for "CFAMM00365587" in compound.

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CFAM Mol ID CFAMM00365587
Family CFFBM5715 Cysteinyl leukotriene receptor 1 ligand 3-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-(dimethylcarbamoyl)phenyl]propyl]sulfanyl-2-methylpropanoic acid family
Superfamily CFSBM3320 Prostaglandin E synthase and Arachidonate 5-lipoxygenase Binder Superfamily
Class CFCID287 Class 1637
External ID CHEMBL276584 External Source CHEMBL
PubChem CID 44269922 Functional Category Bioactive
Molecule Name 3-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-[hydroxymethyl(methyl)carbamoyl]phenyl]propyl]sulfanyl-2-methylpropanoic acid
IUPAC Name 3-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-[hydroxymethyl(methyl)carbamoyl]phenyl]propyl]sulfanyl-2-methylpropanoic acid
Synonyms CHEBI:115250;AGN-PC-074712;3-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-[hydroxymethyl(methyl)carbamoyl]phenyl]propyl]sulfanyl-2-methylpropanoic acid
InChi InChI=1S/C32H33ClN2O5S/c1-21(32(38)39)19-41-30(15-12-22-6-3-4-9-28(22)31(37)35(2)20-36)24-7-5-8-27(16-24)40-18-26-14-11-23-10-13-25(33)17-29(23)34-26/h3-11,13-14,16-17,21,30,36H,12,15,18-20H2,1-2H3,(H,38,39)
InChiKey PZVKOQTVIUEKOI-UHFFFAOYSA-N
Formula C32H33ClN2O5S Molecular Weight 593.13
Cross Link CHEMBL276584
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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