compound 3 [PMID: 9003518]

Ligand id: 6720

Name: compound 3 [PMID: 9003518]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 16
Topological polar surface area 37.83
Molecular weight 446.36
XLogP 9.32
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,2-dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-14-(6-methylhept-5-en-2-ylsulfanyl)tetradeca-3,7,11-trienyl]oxirane
Database Links
ChEMBL Ligand CHEMBL64905
PubChem CID 10095126
Search Google for chemical match using the InChIKey CRZHANPLXOIADK-YNWRIEOZSA-N
Search Google for chemicals with the same backbone CRZHANPLXOIADK
Search UniChem for chemical match using the InChIKey CRZHANPLXOIADK-YNWRIEOZSA-N
Search UniChem for chemicals with the same backbone CRZHANPLXOIADK