ibodutant

Ligand id: 2117

Name: ibodutant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 128.01
Molecular weight 644.34
XLogP 7
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
International Nonproprietary Names
INN number INN
8909 ibodutant
Synonyms
MEN 15596
Database Links
CAS Registry No. 522664-63-7 (source: Scifinder)
ChEMBL Ligand CHEMBL266125
PubChem CID 11527495
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Wikipedia Ibodutant