RTI-118

Ligand id: 7929

Name: RTI-118

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 65.12
Molecular weight 448.25
XLogP 5.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-oxo-1,1-di(phenyl)-N-(2-piperidin-1-ylethyl)-5,6,8,8a-tetrahydro-[1,3]oxazolo[4,3-c]pyrazine-7-carboxamide
Database Links
ChEMBL Ligand CHEMBL470485
PubChem CID 23121947
Search Google for chemical match using the InChIKey JJDDRYMIPIEXKX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JJDDRYMIPIEXKX
Search UniChem for chemical match using the InChIKey JJDDRYMIPIEXKX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JJDDRYMIPIEXKX
Comments
RTI-118 is a small molecule antagonist of the neuropeptide S (NPS) receptor [1].