GSK256073   

GtoPdb Ligand ID: 8470

Synonyms: GSK 256073 | GSK-256073
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 83.54
Molecular weight 256.07
XLogP 3.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCCn1c(=O)[nH]c(=O)c2c1nc([nH]2)Cl
Isomeric SMILES CCCCCn1c(=O)[nH]c(=O)c2c1nc([nH]2)Cl
InChI InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)
InChI Key CGAMDQCXAAOFSR-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
8-chloro-3-pentyl-7H-purine-2,6-dione
Synonyms
GSK 256073 | GSK-256073
Database Links
GtoPdb PubChem SID 252166680
PubChem CID 46215799
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