NBTGR

Ligand id: 4513

Name: NBTGR

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 202.51
Molecular weight 450.1
XLogP 0.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-{[(2-nitrophenyl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-one
Synonyms
nitrobenzylthioguanosine
Database Links
PubChem CID 21117123
Search Google for chemical match using the InChIKey URJSEQDFTMBNCG-XNIJJKJLSA-N
Search Google for chemicals with the same backbone URJSEQDFTMBNCG
Search UniChem for chemical match using the InChIKey URJSEQDFTMBNCG-XNIJJKJLSA-N
Search UniChem for chemicals with the same backbone URJSEQDFTMBNCG