MRS2500

Ligand id: 1724

Name: MRS2500

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 7
Topological polar surface area 208.77
Molecular weight 560.97
XLogP -2.05
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Synonyms
MRS 2500 | MRS-2500
Database Links
CAS Registry No. 779323-43-2 (source: Scifinder)
ChEMBL Ligand CHEMBL444278
PubChem CID 44448831
RCSB PDB Ligand 2ID
Search Google for chemical match using the InChIKey NMVWLEUONAKGCD-SMWKGLLFSA-N
Search Google for chemicals with the same backbone NMVWLEUONAKGCD
Search UniChem for chemical match using the InChIKey NMVWLEUONAKGCD-SMWKGLLFSA-N
Search UniChem for chemicals with the same backbone NMVWLEUONAKGCD
SynPHARM 4014 (in complex with P2Y1 receptor)