MRS3558

Ligand id: 5601

Name: MRS3558

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 125.19
Molecular weight 462.1
XLogP 1.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,2R,3S,4R,5S)-4-[2-chloro-6-[(3-chlorophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Synonyms
CF502 | MRS 3558 | MRS-3558
Database Links
CAS Registry No. 793695-40-6 (source: Scifinder)
ChEMBL Ligand CHEMBL175543
PubChem CID 11248240
Search Google for chemical match using the InChIKey GAYWHRPOIWFKIF-DDDALXFXSA-N
Search Google for chemicals with the same backbone GAYWHRPOIWFKIF
Search UniChem for chemical match using the InChIKey GAYWHRPOIWFKIF-DDDALXFXSA-N
Search UniChem for chemicals with the same backbone GAYWHRPOIWFKIF