CFam Chemical Families Database
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You are searching for "CFAMM00073322" 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 CFAMM00073322
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 17816872 External Source PubChem
PubChem CID 17816872 Functional Category Patent Compound
Molecule Name AGN-PC-01M5JS
IUPAC Name 4-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole
Synonyms 4-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-prop-2-ynyl-5-(trifluoromethyl)pyrazole
InChi InChI=1S/C21H16F4N2O2S/c1-4-11-27-20(21(23,24)25)18(15-6-5-13(2)17(22)12-15)19(26-27)14-7-9-16(10-8-14)30(3,28)29/h1,5-10,12H,11H2,2-3H3
InChiKey QOFFYODHUUHUCH-UHFFFAOYSA-N
Formula C21H16F4N2O2S Molecular Weight 436.42
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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