befetupitant

Ligand id: 5759

Name: befetupitant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 45.67
Molecular weight 565.22
XLogP 8.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-ylpyridin-3-yl]propanamide
International Nonproprietary Names
INN number INN
8392 befetupitant
Synonyms
Ro 67-5930 | Ro-675930
Database Links
CAS Registry No. 290296-68-3 (source: SciFinder)
ChEMBL Ligand CHEMBL204694
GtoPdb PubChem SID 178102384
PubChem CID 6450815
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