CFam Chemical Families Database
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You are searching for "CFAMM00486698" 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 CFAMM00486698
Family CFFBM28755 Prostaglandin G/H synthase 2 and Prostaglandin G/H synthase 1 inhibitor AGN-PC-050TRN family
Superfamily CFSID2648 Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 Inhibitor Imrecoxib Superfamily
Class CFCID1568 Class 2918
External ID CHEMBL469785 External Source CHEMBL
PubChem CID 25261944 Functional Category Bioactive
Molecule Name AGN-PC-050TRN
IUPAC Name 4-[4-(hydroxymethyl)phenyl]-3-(4-methylsulfonylphenyl)-1-propyl-2H-pyrrol-5-one
Synonyms CHEBI:621241;4-[4-(hydroxymethyl)phenyl]-3-(4-methylsulfonylphenyl)-1-propyl-2H-pyrrol-5-one
InChi InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3
InChiKey HOQRPUGACQIBBI-UHFFFAOYSA-N
Formula C21H23NO4S Molecular Weight 385.48
Cross Link CHEMBL469785
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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