compound 4e [PMID: 7966163]

Ligand id: 3090

Name: compound 4e [PMID: 7966163]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 6
Rotatable bonds 28
Topological polar surface area 244.68
Molecular weight 827.37
XLogP 8.56
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-4,7-dihydroxy-6-{[(11-phenoxyundecyl)carbamoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Database Links
ChEMBL Ligand CHEMBL336939
PubChem CID 44352889
Search Google for chemical match using the InChIKey QOLHWXNSCZGWHK-BWBORTOCSA-N
Search Google for chemicals with the same backbone QOLHWXNSCZGWHK
Search UniChem for chemical match using the InChIKey QOLHWXNSCZGWHK-BWBORTOCSA-N
Search UniChem for chemicals with the same backbone QOLHWXNSCZGWHK