CFam Chemical Families Database
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You are searching for "CFAMM00324608" in compound.

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CFAM Mol ID CFAMM00324608
Family CFFBM1530 Gamma-aminobutyric acid receptor subunit gamma-2 and Gamma-aminobutyric acid receptor subunit beta-3 ligand 2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one family
Superfamily CFSID2218 Glucocorticoid receptor Ligand 1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1h-indazol-5-y L)ethanol (enantiomeric Mix) Superfamily
Class CFCID384 Class 1734
External ID CHEMBL315863 External Source CHEMBL
PubChem CID 11494897 Functional Category Bioactive
Molecule Name AGN-PC-00A8TL
IUPAC Name 4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-5-pyridin-4-yl-1H-pyrazol-3-one
Synonyms CHEBI:246890;4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-5-pyridin-4-yl-1H-pyrazol-3-one
InChi InChI=1S/C21H16FN3O2S/c1-28(27)18-8-6-17(7-9-18)25-21(26)19(14-2-4-16(22)5-3-14)20(24-25)15-10-12-23-13-11-15/h2-13,26H,1H3
InChiKey NHKBJUGZERGSJU-UHFFFAOYSA-N
Formula C21H16FN3O2S Molecular Weight 393.43
Cross Link CHEMBL315863
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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