compound 1 [PMID: 1895299]

Ligand id: 2975

Name: compound 1 [PMID: 1895299]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 106.89
Molecular weight 421.26
XLogP 3.27
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S,5R)-7-[(1S,2S,6R,8R)-2,6-dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
Database Links
ChEMBL Ligand CHEMBL1207599
GtoPdb PubChem SID 135649783
PubChem CID 56947047
Search Google for chemical match using the InChIKey QLJODMDSTUBWDW-VPUMEXOFSA-M
Search Google for chemicals with the same backbone QLJODMDSTUBWDW
Search UniChem for chemical match using the InChIKey QLJODMDSTUBWDW-VPUMEXOFSA-M
Search UniChem for chemicals with the same backbone QLJODMDSTUBWDW