compound 3f [PMID: 7966163]

Ligand id: 3116

Name: compound 3f [PMID: 7966163]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 26
Topological polar surface area 232.65
Molecular weight 798.35
XLogP 8.4
No. Lipinski's rules broken 3

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-phenoxyundecanoyl)oxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
Database Links
ChEMBL Ligand CHEMBL131335
GtoPdb PubChem SID 135649851
PubChem CID 44352891
Search Google for chemical match using the InChIKey MNIPVWXWSPXERA-IDNZQHFXSA-N
Search Google for chemicals with the same backbone MNIPVWXWSPXERA
Search UniChem for chemical match using the InChIKey MNIPVWXWSPXERA-IDNZQHFXSA-N
Search UniChem for chemicals with the same backbone MNIPVWXWSPXERA