compound 29 [PMID: 1527791]

Ligand id: 3029

Name: compound 29 [PMID: 1527791]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 93.06
Molecular weight 408.25
XLogP 3.49
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,3R,4aR,7S,8S,8aS)-3-hydroxy-8-{2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-7-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl (2S)-2-methylbutanoate
Database Links
ChEMBL Ligand CHEMBL115307
PubChem CID 15931922
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Search UniChem for chemicals with the same backbone LJOOWESTVASNOG