CFAM Mol ID	CFAMM00426528
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	CHEMBL270588	External Source	CHEMBL
PubChem CID	44454539	Functional Category	Bioactive
Molecule Name	6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC Name	6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
Synonyms	SureCN1620225;AGN-PC-076F7C;6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
InChi	InChI=1S/C33H33F2N3O2S/c1-32(2,3)25-6-14-30(15-7-25)41(39,40)37-17-16-26-18-31-24(21-36-38(31)29-12-10-28(35)11-13-29)20-33(26,22-37)19-23-4-8-27(34)9-5-23/h4-15,18,21H,16-17,19-20,22H2,1-3H3
InChiKey	UFCDLSDNOGFCJL-UHFFFAOYSA-N
Formula	C33H33F2N3O2S	Molecular Weight	573.70
Cross Link	CHEMBL270588
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

27047 visits since 2014 .........

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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