compound 25 [PMID: 2296027]

Ligand id: 2965

Name: compound 25 [PMID: 2296027]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 64.35
Molecular weight 440.19
XLogP 5.73
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4S,6S)-6-{2-[1,5-bis(4-fluorophenyl)-3-(propan-2-yl)-1H-pyrazol-4-yl]ethyl}-4-hydroxyoxan-2-one
Database Links
ChEMBL Ligand CHEMBL421614
PubChem CID 44349317
Search Google for chemical match using the InChIKey CJOOCCJIHMSWOT-SFTDATJTSA-N
Search Google for chemicals with the same backbone CJOOCCJIHMSWOT
Search UniChem for chemical match using the InChIKey CJOOCCJIHMSWOT-SFTDATJTSA-N
Search UniChem for chemicals with the same backbone CJOOCCJIHMSWOT