anatibant

Ligand id: 679

Name: anatibant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 175.95
Molecular weight 710.18
XLogP 5.36
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide
International Nonproprietary Names
INN number INN
8321 anatibant
Synonyms
LF 16-0687
LF160687
Database Links
CAS Registry No. 209733-45-9 (source: Scifinder)
ChEMBL Ligand CHEMBL2107725
PubChem CID 9831652
Search Google for chemical match using the InChIKey XUHBBTKJWIBQMY-MHZLTWQESA-N
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