MRS2298

Ligand id: 1722

Name: MRS2298

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 208.77
Molecular weight 431.02
XLogP -3.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-[(2-chloro-6-methylaminopurin-9-yl)methyl]-3-phosphonooxypropyl] dihydrogen phosphate
Synonyms
MRS 2298 | MRS-2298
Database Links
BindingDB Ligand 50104017
CAS Registry No. 491611-43-9 (source: Scifinder)
ChEMBL Ligand CHEMBL104784
PubChem CID 10432920
Search Google for chemical match using the InChIKey GMCUIIHBWNOHIM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GMCUIIHBWNOHIM
Search UniChem for chemical match using the InChIKey GMCUIIHBWNOHIM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GMCUIIHBWNOHIM