CFam Chemical Families Database
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You are searching for "CFAMM00073343" 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 CFAMM00073343
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 DNC013834 External Source TTD
PubChem CID 9908776 Functional Category Investigative Drug
Molecule Name Primary alcohol metabolite of celecoxib
IUPAC Name 4-[5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Synonyms 170571-00-3;Hydroxy Celecoxib;4-(5-(4-Hydroxymethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide;4-[5-(4-Hydroxymethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide;4'-Hydroxycelecoxib;Celecoxib metabolite M3;CHEMBL745;UNII-1DIW8DT7Q3;AGN-PC-088NJC;SureCN6013984
InChi InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)
InChiKey ICRSYPPLGADZKA-UHFFFAOYSA-N
Formula C17H14F3N3O3S Molecular Weight 397.37
Cross Link CHEMBL745
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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