compound 29 [PMID: 2296027]

Ligand id: 2964

Name: compound 29 [PMID: 2296027]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 64.35
Molecular weight 436.22
XLogP 6.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4S,6S)-6-{2-[1-benzyl-5-(4-fluorophenyl)-3-(propan-2-yl)-1H-pyrazol-4-yl]ethyl}-4-hydroxyoxan-2-one
Database Links
ChEMBL Ligand CHEMBL340848
GtoPdb PubChem SID 135649815
PubChem CID 44349330
Search Google for chemical match using the InChIKey SFTVYVGIXNZCEX-VXKWHMMOSA-N
Search Google for chemicals with the same backbone SFTVYVGIXNZCEX
Search UniChem for chemical match using the InChIKey SFTVYVGIXNZCEX-VXKWHMMOSA-N
Search UniChem for chemicals with the same backbone SFTVYVGIXNZCEX