AZD8871
[4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]cyclohexyl] 2-hydroxy-2,2-dithiophen-2-ylacetate
Molecular Identity
AZD8871
[4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]cyclohexyl] 2-hydroxy-2,2-dithiophen-2-ylacetate
PubChem CID: 71558565
2D Structure
Properties
C38H42N6O6S2
Molecular Formula
742.90
Molecular Weight
g/mol
742.2607
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
219
TPSA
May have limited oral absorption
5
H-Bond Donors
12
H-Bond Acceptors
1230
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
AZD8871AZD-8871RefChem:199689Navafenterol1435519-06-4Navafenterol [USAN]LAS191351LAS-191351U29GY32XJ4UNII-U29GY32XJ4Azd 8871WHO 11100Navafenterol (USAN)[4-[3-[5-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzotriazol-1-yl]propyl-methylamino]cyclohexyl] 2-hydroxy-2,2-dithiophen-2-ylacetate2-Thiopheneacetic acid, alpha-hydroxy-alpha-2-thienyl-, trans-4-((3-(5-((((2R)-2-(1,2-dihydro-8-hydroxy-2-oxo-5-quinolinyl)-2-hydroxyethyl)amino)methyl)-1H-benzotriazol-1-yl)propyl)methylamino)cyclohexyl ester
Data from PubChem (NCBI)
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