ML221

Ligand id: 6282

Name: ML221

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 146.82
Molecular weight 385.04
XLogP 3.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-nitrobenzoate
Database Links
ChEMBL Ligand CHEMBL2158347
PubChem CID 7217941
Search Google for chemical match using the InChIKey UASIRTUMPRQVFY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UASIRTUMPRQVFY
Search UniChem for chemical match using the InChIKey UASIRTUMPRQVFY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UASIRTUMPRQVFY