compound 9 [PMID: 23517011]

Ligand id: 7517

Name: compound 9 [PMID: 23517011]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 72.56
Molecular weight 337.13
XLogP 5.23
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(phenyl)methyl]phenyl] acetate
Database Links
ChEMBL Ligand CHEMBL2335153
PubChem CID 71624782
Search Google for chemical match using the InChIKey BLNKHZBHJDYSGF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BLNKHZBHJDYSGF
Search UniChem for chemical match using the InChIKey BLNKHZBHJDYSGF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BLNKHZBHJDYSGF