CFam Chemical Families Database
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You are searching for "CFAMM00426546" in compound.

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CFAM Mol ID CFAMM00426546
Family CFFBM14144 Glucocorticoid receptor ligand 1-[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine family
Superfamily CFSAD466 Prostaglandin G/H synthase 2 Inhibitor Celecoxib Superfamily
Class CFCAD428 Class 428
External ID CHEMBL257204 External Source CHEMBL
PubChem CID 44454624 Functional Category Bioactive
Molecule Name N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]propan-2-amine
IUPAC Name N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]propan-2-amine
Synonyms SureCN1619576
InChi InChI=1S/C30H37FN4O2S/c1-21(2)32-19-30-17-22-18-33-35(26-10-8-25(31)9-11-26)28(22)16-24(30)14-15-34(20-30)38(36,37)27-12-6-23(7-13-27)29(3,4)5/h6-13,16,18,21,32H,14-15,17,19-20H2,1-5H3/t30-/m0/s1
InChiKey PTJIGZFENPOXHR-PMERELPUSA-N
Formula C30H37FN4O2S Molecular Weight 536.70
Cross Link CHEMBL257204
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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