I-BOP

Ligand id: 1938

Name: I-BOP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 75.99
Molecular weight 512.11
XLogP 4.87
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(Z)-7-[(1S,4R,5R,6R)-5-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
Database Links
ChEMBL Ligand CHEMBL2113346
PubChem CID 5311175
Search Google for chemical match using the InChIKey UYFMSCHBODMWON-HBHIRWTLSA-N
Search Google for chemicals with the same backbone UYFMSCHBODMWON
Search UniChem for chemical match using the InChIKey UYFMSCHBODMWON-HBHIRWTLSA-N
Search UniChem for chemicals with the same backbone UYFMSCHBODMWON