CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00073399" 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 CFAMM00073399
Family CFFAD537 Prostaglandin G/H synthase 2 Inhibitor Celecoxib Family
Superfamily CFSAD466 Prostaglandin G/H synthase 2 Inhibitor Celecoxib Superfamily
Class CFCAD428 Class 428
External ID 54091764 External Source PubChem
PubChem CID 54091764 Functional Category Patent Compound
Molecule Name AGN-PC-0A2RQS
IUPAC Name 3,5-bis(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole
Synonyms SureCN8421797;3,5-bis(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)pyrazole
InChi InChI=1S/C24H22N2O2S3/c1-29-20-10-4-17(5-11-20)23-16-24(18-6-12-21(30-2)13-7-18)26(25-23)19-8-14-22(15-9-19)31(3,27)28/h4-16H,1-3H3
InChiKey MUIQFUGDQSKFAH-UHFFFAOYSA-N
Formula C24H22N2O2S3 Molecular Weight 466.64
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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