15-deoxy-Δ-12,14-prostaglandin J2

Ligand id: 2692

Name: 15-deoxy-Δ-12,14-prostaglandin J2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 54.37
Molecular weight 316.2
XLogP 5.34
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid
Database Links
BindingDB Ligand 50270612
CAS Registry No. 87893-55-8 (source: Scifinder)
ChEMBL Ligand CHEMBL482477
GtoPdb PubChem SID 135651375
PubChem CID 5311211
Search Google for chemical match using the InChIKey VHRUMKCAEVRUBK-GODQJPCRSA-N
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Search UniChem for chemical match using the InChIKey VHRUMKCAEVRUBK-GODQJPCRSA-N
Search UniChem for chemicals with the same backbone VHRUMKCAEVRUBK