NBI-42902

Ligand id: 1178

Name: NBI-42902

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 75.87
Molecular weight 495.18
XLogP 6.07
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
Synonyms
NBI 42902 | NBI42902
Database Links
BindingDB Ligand 50162007
CAS Registry No. 352290-60-9 (source: Scifinder)
ChEMBL Ligand CHEMBL179691
PubChem CID 11167850
Search Google for chemical match using the InChIKey CJUWBZDJMYYRDG-QFIPXVFZSA-N
Search Google for chemicals with the same backbone CJUWBZDJMYYRDG
Search UniChem for chemical match using the InChIKey CJUWBZDJMYYRDG-QFIPXVFZSA-N
Search UniChem for chemicals with the same backbone CJUWBZDJMYYRDG