MSX-2

Ligand id: 5610

Name: MSX-2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 87.9
Molecular weight 394.16
XLogP 2.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione
Database Links
CAS Registry No. 261717-18-4 (source: SciFinder)
ChEMBL Ligand CHEMBL413079
PubChem CID 10046145
Search Google for chemical match using the InChIKey FWLDDFYHEQMIGG-MDZDMXLPSA-N
Search Google for chemicals with the same backbone FWLDDFYHEQMIGG
Search UniChem for chemical match using the InChIKey FWLDDFYHEQMIGG-MDZDMXLPSA-N
Search UniChem for chemicals with the same backbone FWLDDFYHEQMIGG