CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00393680" in compound.

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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 CFAMM00393680
Family CFFBM9204 Prostaglandin D2 receptor 2 ligand 2-[4-cyano-2-[2-(2-methyl-5-propylsulfonylphenyl)ethynyl]phenoxy]acetic acid family
Superfamily CFSBM4352 Prostaglandin D2 receptor 2 and Chemoattractant receptor-homologous molecule expressed on Th2 cells Binder Superfamily
Class CFCBM1548 Class 4598
External ID CHEMBL1917796 External Source CHEMBL
PubChem CID 56595443 Functional Category Bioactive
Molecule Name 2-[4-cyano-2-[2-(2-methyl-5-propylsulfonylphenyl)ethynyl]phenoxy]acetic acid
IUPAC Name 2-[4-cyano-2-[2-(2-methyl-5-propylsulfonylphenyl)ethynyl]phenoxy]acetic acid
Synonyms AGN-PC-0BEIPK;SureCN1370204;2-[4-cyano-2-[2-(2-methyl-5-propylsulfonylphenyl)ethynyl]phenoxy]acetic acid
InChi InChI=1S/C21H19NO5S/c1-3-10-28(25,26)19-8-4-15(2)17(12-19)6-7-18-11-16(13-22)5-9-20(18)27-14-21(23)24/h4-5,8-9,11-12H,3,10,14H2,1-2H3,(H,23,24)
InChiKey JLZMULUDSUQGSP-UHFFFAOYSA-N
Formula C21H19NO5S Molecular Weight 397.44
Cross Link CHEMBL1917796
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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