compound 18 [PMID: 1875346]

Ligand id: 3028

Name: compound 18 [PMID: 1875346]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 111.16
Molecular weight 571.35
XLogP 7.59
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,3R,4R,4aR,7S,8S)-4-[(benzylcarbamoyl)oxy]-8-{2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-decahydronaphthalen-1-yl 2,2-dimethylbutanoate
Database Links
ChEMBL Ligand CHEMBL310463
PubChem CID 44461899
Search Google for chemical match using the InChIKey ZUURLVDIZFDZJT-UQLLKHDVSA-N
Search Google for chemicals with the same backbone ZUURLVDIZFDZJT
Search UniChem for chemical match using the InChIKey ZUURLVDIZFDZJT-UQLLKHDVSA-N
Search UniChem for chemicals with the same backbone ZUURLVDIZFDZJT