RS-504393

Ligand id: 781

Name: RS-504393

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 67.6
Molecular weight 417.21
XLogP 6.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-1,2-dihydrospiro[3,1-benzoxazine-4,4'-piperidine]-2-one
Synonyms
RS 504393 | RS504393
Database Links
BindingDB Ligand 50133111
CAS Registry No. 300816-15-3 (source: Scifinder)
ChEMBL Ligand CHEMBL134074
PubChem CID 9953769
Search Google for chemical match using the InChIKey ODNICNWASXKNNQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ODNICNWASXKNNQ
Search UniChem for chemical match using the InChIKey ODNICNWASXKNNQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ODNICNWASXKNNQ
Comments
Highly selective CCR2 antagonist