BzATP

Ligand id: 1757

Name: BzATP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 20
Hydrogen bond donors 6
Rotatable bonds 13
Topological polar surface area 331.7
Molecular weight 715.05
XLogP -1.25
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-(benzoyl)benzoate
Database Links
CAS Registry No. 81790-82-1 (source: Scifinder)
ChEBI CHEBI:34316
ChEMBL Ligand CHEMBL2407634
PubChem CID 115205
Search Google for chemical match using the InChIKey AWJJLYZBWRIBCZ-UGTJMOTHSA-N
Search Google for chemicals with the same backbone AWJJLYZBWRIBCZ