CFam Chemical Families Database
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You are searching for "CFAMM00426535" in compound.

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CFAM Mol ID CFAMM00426535
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 CHEMBL404160 External Source CHEMBL
PubChem CID 44454647 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]ethanamine
IUPAC Name N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]ethanamine
Synonyms SureCN1620104
InChi InChI=1S/C29H35FN4O2S/c1-5-31-19-29-17-21-18-32-34(25-10-8-24(30)9-11-25)27(21)16-23(29)14-15-33(20-29)37(35,36)26-12-6-22(7-13-26)28(2,3)4/h6-13,16,18,31H,5,14-15,17,19-20H2,1-4H3/t29-/m0/s1
InChiKey NJCFKWLXWYVKMY-LJAQVGFWSA-N
Formula C29H35FN4O2S Molecular Weight 522.68
Cross Link CHEMBL404160
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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