Sunobinop
4-[(1R,5S)-9-[(1S,5S)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylic acid
Molecular Identity
Sunobinop
4-[(1R,5S)-9-[(1S,5S)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylic acid
PubChem CID: 155801560
2D Structure
Properties
C26H33N3O3
Molecular Formula
435.60
Molecular Weight
g/mol
435.2522
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
73.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
771
Complexity
SMILES
Canonical SMILES
SMILES: C1CC2CC(C1)CC(C2)N3C4CCCC3CC(C4)N5C6=CC=CC=C6N=C(C5=O)C(=O)OIsomeric SMILES
SMILES: C1C[C@H]2C[C@H](C1)CC(C2)N3[C@@H]4CCC[C@H]3CC(C4)N5C6=CC=CC=C6N=C(C5=O)C(=O)OSynonyms(20)
SunobinopSunobinop [INN]Sunobinop [USAN]IMB-115V1179571126793-40-5Sunobinop [USAN:INN]RSC117957I1X86U5474IMB115UNII-I1X86U5474V-117957WHO 115374-[(1R,5S)-9-[(1S,5S)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylic acid2-Quinoxalinecarboxylic acid, 4-((3-endo)-9-(3-exo)-bicyclo(3.3.1)non-3-yl-9-azabicyclo(3.3.1)non-3-yl)-3,4-dihydro-3-oxo-
Data from PubChem (NCBI)
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