BAY-320

Ligand id: 9126

Name: BAY-320

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 86.98
Molecular weight 492.21
XLogP 4.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
Database Links
GtoPdb PubChem SID 315661211
PubChem CID 71611462
Search Google for chemical match using the InChIKey WAELFQHBZPHEMW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WAELFQHBZPHEMW
Search UniChem for chemical match using the InChIKey WAELFQHBZPHEMW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WAELFQHBZPHEMW
Comments
BAY-320 is a Bub1 kinase inhibitor [1]. This can be used as a tool compound for investigating Bub1 kinase function.