RS-102895

Ligand id: 779

Name: RS-102895

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 41.57
Molecular weight 390.16
XLogP 6.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Synonyms
RS102895
Database Links
CAS Registry No. 300815-41-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1593104
PubChem CID 10000456
Search Google for chemical match using the InChIKey HIDWEYPGMLIQSN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HIDWEYPGMLIQSN
Search UniChem for chemical match using the InChIKey HIDWEYPGMLIQSN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HIDWEYPGMLIQSN
Comments
CCR2b antagonist