S9947

Ligand id: 2562

Name: S9947

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 80.32
Molecular weight 465.21
XLogP 8.94
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
phenylmethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
Synonyms
S-9947
Database Links
BindingDB Ligand 50123508
ChEBI CHEBI:342860
ChEMBL Ligand CHEMBL148159
PubChem CID 656730
Search Google for chemical match using the InChIKey FLOLVFLAXFXKBU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FLOLVFLAXFXKBU
Search UniChem for chemical match using the InChIKey FLOLVFLAXFXKBU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FLOLVFLAXFXKBU