Teijin-lead_cmp_5

Ligand id: 785

Name: Teijin-lead_cmp_5

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 61.44
Molecular weight 433.2
XLogP 5.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]-2-{[3-(trifluoromethyl)phenyl]formamido}acetamide
Database Links
BindingDB Ligand 50133112
ChEMBL Ligand CHEMBL337246
PubChem CID 44353447
Search Google for chemical match using the InChIKey MRRGKBBDXLJMCV-HXUWFJFHSA-N
Search Google for chemicals with the same backbone MRRGKBBDXLJMCV
Search UniChem for chemical match using the InChIKey MRRGKBBDXLJMCV-HXUWFJFHSA-N
Search UniChem for chemicals with the same backbone MRRGKBBDXLJMCV