CFam Chemical Families Database
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You are searching for "CFAMM00486697" 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 CFAMM00486697
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 CHEMBL469574 External Source CHEMBL
PubChem CID 25261943 Functional Category Bioactive
Molecule Name AGN-PC-050TRM
IUPAC Name 4-[3-(4-methylsulfonylphenyl)-5-oxo-1-propyl-2H-pyrrol-4-yl]benzoic acid
Synonyms CHEBI:621240;4-[3-(4-methylsulfonylphenyl)-5-oxo-1-propyl-2H-pyrrol-4-yl]benzoic acid
InChi InChI=1S/C21H21NO5S/c1-3-12-22-13-18(14-8-10-17(11-9-14)28(2,26)27)19(20(22)23)15-4-6-16(7-5-15)21(24)25/h4-11H,3,12-13H2,1-2H3,(H,24,25)
InChiKey UOLUFPJCRSHVKK-UHFFFAOYSA-N
Formula C21H21NO5S Molecular Weight 399.46
Cross Link CHEMBL469574
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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