CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00299711" 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 CFAMM00299711
Family CFFID3887 Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 Inhibitor Imrecoxib Family
Superfamily CFSID2648 Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2 Inhibitor Imrecoxib Superfamily
Class CFCID1568 Class 2918
External ID DNC013872 External Source TTD
PubChem CID 11682175 Functional Category Investigative Drug
Molecule Name IMRECOXIB
IUPAC Name 4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-propyl-2H-pyrrol-5-one
Synonyms AGN-PC-00E1GM;SureCN3034253;CHEMBL504535;CHEBI:621242;DNC013872;LS-194053;4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-propyl-2H-pyrrol-5-one
InChi InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3
InChiKey AXMZZGKKZDJGAZ-UHFFFAOYSA-N
Formula C21H23NO3S Molecular Weight 369.48
Cross Link CHEMBL504535
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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