tonapofylline

Ligand id: 5605

Name: tonapofylline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 106.6
Molecular weight 416.24
XLogP 4.11
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoic acid
International Nonproprietary Names
INN number INN
9152 tonapofylline
Synonyms
BG 9928 | BG-9928
Database Links
CAS Registry No. 340021-17-2 (source: SciFinder)
ChEMBL Ligand CHEMBL414157
PubChem CID 216466
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