ARL66096

Ligand id: 3384

Name: ARL66096

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 7
Rotatable bonds 11
Topological polar surface area 324.63
Molecular weight 615.02
XLogP -3.63
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
({[({[(2R,3S,4R,5R)-5-[6-amino-2-(propylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid
Synonyms
2-propylthio-βγ-difluoromethylene ATP | ARL 66096 | FPL66096
Database Links
CAS Registry No. 145783-24-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1160359
PubChem CID 5311009
Search Google for chemical match using the InChIKey ZQXUQOHLHUWLSA-WOUKDFQISA-N
Search Google for chemicals with the same backbone ZQXUQOHLHUWLSA
Search UniChem for chemical match using the InChIKey ZQXUQOHLHUWLSA-WOUKDFQISA-N
Search UniChem for chemicals with the same backbone ZQXUQOHLHUWLSA