ML221

Ligand id: 6282

Name: ML221

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 150.73
Molecular weight 385.04
XLogP 2.16
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
GtoPdb PubChem SID 178102902
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

Product suppliers

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Tocris
ML 221
Cat. No. 4748