compound 1 [Patel et al., 1991]

Ligand id: 3009

Name: compound 1 [Patel et al., 1991]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 104.06
Molecular weight 428.31
XLogP 5.3
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,5R)-7-[(1S,2S,3R,6S)-2-{[(2,2-dimethylbutanoyl)oxy]methyl}-6-methyl-3-propylcyclohexyl]-3,5-dihydroxyheptanoic acid
Database Links
ChEMBL Ligand CHEMBL151437
PubChem CID 15663484
Search Google for chemical match using the InChIKey OCFSRHVZSAWNAA-LPYKTLRWSA-N
Search Google for chemicals with the same backbone OCFSRHVZSAWNAA
Search UniChem for chemical match using the InChIKey OCFSRHVZSAWNAA-LPYKTLRWSA-N
Search UniChem for chemicals with the same backbone OCFSRHVZSAWNAA