CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00526078" 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 CFAMM00526078
Family CFFBM45452 Cysteinyl leukotriene receptor 2 and Cysteinyl leukotriene receptor 1 ligand AGN-PC-000EDR family
Superfamily CFSBM6569 Cysteinyl leukotriene receptor 1 and Cysteinyl leukotriene receptor 2 Binder Superfamily 2
Class CFCBM2058 Class 5108
External ID 20028738 External Source PubChem
PubChem CID 20028738 Functional Category Patent Compound
Molecule Name AGN-PC-02R9YO
IUPAC Name methyl 3-[3-(3-cyclopentyl-2-prop-2-ynoxyphenyl)-2-hydroxypropyl]sulfanylpropanoate
Synonyms methyl 3-[3-(3-cyclopentyl-2-prop-2-ynoxyphenyl)-2-hydroxypropyl]sulfanylpropanoate
InChi InChI=1S/C21H28O4S/c1-3-12-25-21-17(9-6-10-19(21)16-7-4-5-8-16)14-18(22)15-26-13-11-20(23)24-2/h1,6,9-10,16,18,22H,4-5,7-8,11-15H2,2H3
InChiKey KJPRQLXBKVHDSB-UHFFFAOYSA-N
Formula C21H28O4S Molecular Weight 376.51
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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