compound 4 [PMID: 23083103]

Ligand id: 6148

Name: compound 4 [PMID: 23083103]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 26
Hydrogen bond donors 8
Rotatable bonds 14
Topological polar surface area 501.12
Molecular weight 899.98
XLogP -6.05
No. Lipinski's rules broken 3

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-[[[[(3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-hydroxyphosphoryl]-chloromethyl]phosphinic acid
Database Links
GtoPdb PubChem SID 178102769
PubChem CID 73755176
Search Google for chemical match using the InChIKey SQXLFBVOQBYLCG-BUWSHSPFSA-N
Search Google for chemicals with the same backbone SQXLFBVOQBYLCG
Search UniChem for chemical match using the InChIKey SQXLFBVOQBYLCG-BUWSHSPFSA-N
Search UniChem for chemicals with the same backbone SQXLFBVOQBYLCG