CFam Chemical Families Database
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You are searching for "CFAMM00382862" in compound.

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CFAM Mol ID CFAMM00382862
Family CFFBM7763 Corticosteroid 11-beta-dehydrogenase isozyme 1 inhibitor 4-methyl-3-(4-pentylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole family
Superfamily CFSBM4279 Corticosteroid 11-beta-dehydrogenase isozyme 1 and Dipeptidyl peptidase 4 Binder Superfamily
Class CFCBM32 Class 3082
External ID CHEMBL1761139 External Source CHEMBL
PubChem CID 54582242 Functional Category Bioactive
Molecule Name AGN-PC-0A9RCL
IUPAC Name 3-[1-(4,4-difluoropentyl)-4-bicyclo[2.2.2]octanyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
Synonyms CHEBI:1238419;3-[1-(4,4-difluoropentyl)-4-bicyclo[2.2.2]octanyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
InChi InChI=1S/C23H28F5N3/c1-20(24,25)8-5-9-21-10-13-22(14-11-21,15-12-21)19-30-29-18(31(19)2)16-6-3-4-7-17(16)23(26,27)28/h3-4,6-7H,5,8-15H2,1-2H3
InChiKey RJDVDAPIQXMABK-UHFFFAOYSA-N
Formula C23H28F5N3 Molecular Weight 441.48
Cross Link CHEMBL1761139
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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