CFam Chemical Families Database
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You are searching for "CFAMM00353019" in compound.

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CFAM Mol ID CFAMM00353019
Family CFFBM4109 Corticosteroid 11-beta-dehydrogenase isozyme 1 inhibitor (2R)-1-(4-tert-butylphenyl)sulfonyl-2-methyl-4-(1-pyridin-4-ylethyl)piperazine family
Superfamily CFSBM1356 Corticosteroid 11-beta-dehydrogenase isozyme 1 and Cannabinoid receptor 2 Binder Superfamily
Class CFCBM515 Class 3565
External ID CHEMBL491152 External Source CHEMBL
PubChem CID 44564974 Functional Category Bioactive
Molecule Name (2R)-2-methyl-4-(2-pyridin-4-ylethyl)-1-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylpiperazine
IUPAC Name (2R)-2-methyl-4-(2-pyridin-4-ylethyl)-1-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylpiperazine
Synonyms CHEBI:557784
InChi InChI=1S/C21H25F4N3O2S/c1-16-15-27(12-9-17-7-10-26-11-8-17)13-14-28(16)31(29,30)19-5-3-18(4-6-19)20(2,22)21(23,24)25/h3-8,10-11,16H,9,12-15H2,1-2H3/t16-,20?/m1/s1
InChiKey MMYLQVAQWGZWTJ-QRIPLOBPSA-N
Formula C21H25F4N3O2S Molecular Weight 459.50
Cross Link CHEMBL491152
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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