2-chloroadenosine-5-triphosphate

Ligand id: 1716

Name: 2-chloroadenosine-5-triphosphate

Abbreviated name: 2-ClATP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 308.56
Molecular weight 540.96
XLogP -5.41
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Synonyms
2-chloro-ATP
Database Links
ChEMBL Ligand CHEMBL1368696
PubChem CID 162565
Search Google for chemical match using the InChIKey RNGCVFCOKZEZFL-UUOKFMHZSA-N
Search Google for chemicals with the same backbone RNGCVFCOKZEZFL
Search UniChem for chemical match using the InChIKey RNGCVFCOKZEZFL-UUOKFMHZSA-N
Search UniChem for chemicals with the same backbone RNGCVFCOKZEZFL