compound 50 [PMID: 18072721]

Ligand id: 3008

Name: compound 50 [PMID: 18072721]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 118.72
Molecular weight 524.26
XLogP 5.47
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,5R)-7-[1-(4-fluorophenyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-4-(propan-2-yl)-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoate
Synonyms
2r4f
Database Links
ChEMBL Ligand CHEMBL398906
PubChem CID 44629556
Search Google for chemical match using the InChIKey MPDDTAJMJCESGV-CTUHWIOQSA-M
Search Google for chemicals with the same backbone MPDDTAJMJCESGV
Search UniChem for chemical match using the InChIKey MPDDTAJMJCESGV-CTUHWIOQSA-M
Search UniChem for chemicals with the same backbone MPDDTAJMJCESGV