lanepitant

Ligand id: 3510

Name: lanepitant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 80.91
Molecular weight 559.35
XLogP 4.5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
International Nonproprietary Names
INN number INN
7616 lanepitant
Synonyms
LY 303870 | LY-303870 | LY303870
Database Links
CAS Registry No. 170566-84-4 (source: Scifinder)
ChEMBL Ligand CHEMBL42407
PubChem CID 3086681
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