2-phenylethylyl-adenosine derivative

Ligand id: 5600

Name: 2-phenylethylyl-adenosine derivative

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 134.42
Molecular weight 408.15
XLogP 2.95
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-[6-(methylamino)-2-(2-phenylethynyl)purin-9-yl]oxolane-2-carboxamide
Database Links
ChEMBL Ligand CHEMBL574602
PubChem CID 44598833
Search Google for chemical match using the InChIKey PAFSPMXSTBOTSN-KSVNGYGVSA-N
Search Google for chemicals with the same backbone PAFSPMXSTBOTSN
Search UniChem for chemical match using the InChIKey PAFSPMXSTBOTSN-KSVNGYGVSA-N
Search UniChem for chemicals with the same backbone PAFSPMXSTBOTSN