NIBR-0213

Ligand id: 6997

Name: NIBR-0213

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 78.43
Molecular weight 464.19
XLogP 7.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[[4-[3-[[(1R)-1-(4-chloro-3-methylphenyl)ethyl]amino]phenyl]-2,6-dimethylbenzoyl]amino]propanoic acid
Database Links
ChEMBL Ligand CHEMBL3086703
PubChem CID 59393720
Search Google for chemical match using the InChIKey KYHUARFFBDLROH-MOPGFXCFSA-N
Search Google for chemicals with the same backbone KYHUARFFBDLROH
Search UniChem for chemical match using the InChIKey KYHUARFFBDLROH-MOPGFXCFSA-N
Search UniChem for chemicals with the same backbone KYHUARFFBDLROH