NCRW0005-F05

Ligand id: 8775

Name: NCRW0005-F05

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 29.54
Molecular weight 289.09
XLogP 4.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
Database Links
PubChem CID 5017692
Search Google for chemical match using the InChIKey AIIIYUSGINMZMS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AIIIYUSGINMZMS
Search UniChem for chemical match using the InChIKey AIIIYUSGINMZMS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AIIIYUSGINMZMS
Comments
NCRW0005-F05 is the highest affinity antagonist of GPR139 [1] identified from a high-throughput screening study [1].