ML381

Ligand id: 8591

Name: ML381

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 85.53
Molecular weight 379.15
XLogP 3.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]-1,2-oxazole-3-carboxamide
Synonyms
VU0488130-1
Database Links
ChEMBL Ligand CHEMBL3185781
PubChem CID 42519285
Search Google for chemical match using the InChIKey JMYDHMCYZKRDPD-AWEZNQCLSA-N
Search Google for chemicals with the same backbone JMYDHMCYZKRDPD
Search UniChem for chemical match using the InChIKey JMYDHMCYZKRDPD-AWEZNQCLSA-N
Search UniChem for chemicals with the same backbone JMYDHMCYZKRDPD