3-deazaadenosine

Ligand id: 5115

Name: 3-deazaadenosine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 126.65
Molecular weight 266.1
XLogP -1.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R,3R,4S,5R)-2-{4-amino-1H-imidazo[4,5-c]pyridin-1-yl}-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms
3-deaza-adenosine
Database Links
CAS Registry No. 6736-58-9
ChEMBL Ligand CHEMBL202701
PubChem CID 23190
RCSB PDB Ligand AD3
Search Google for chemical match using the InChIKey DBZQFUNLCALWDY-PNHWDRBUSA-N
Search Google for chemicals with the same backbone DBZQFUNLCALWDY
Search UniChem for chemical match using the InChIKey DBZQFUNLCALWDY-PNHWDRBUSA-N
Search UniChem for chemicals with the same backbone DBZQFUNLCALWDY