Gsk-945237
(3R)-3-[[4-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]methyl]-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
Molecular Identity
Gsk-945237
(3R)-3-[[4-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]methyl]-5-fluoro-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
PubChem CID: 119057475
2D Structure
Properties
C24H26FN5O3
Molecular Formula
451.50
Molecular Weight
g/mol
451.2020
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
79.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
748
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCC1NCC2=CC3=C(N=N2)OCCO3)CC4CN5C(=O)C=CC6=C5C4=C(C=C6)FIsomeric SMILES
SMILES: C1CN(CCC1NCC2=CC3=C(N=N2)OCCO3)C[C@@H]4CN5C(=O)C=CC6=C5C4=C(C=C6)FSynonyms(20)
Gsk-945237GSK945237U9T63BZ3AS944406-54-6(1R)-1-((4-(((6,7-Dihydro(1,4)dioxino(2,3-C)pyridazin-3-yl)methyl)amino)-1-piperidinyl)methyl)-9-fluoro-1,2-dihydro-4H-pyrrolo(3,2,1-ij)quinolin-4-oneRefChem:922546(3R)-3-((4-(((6H,7H-(1,4)dioxino(2,3-c)pyridazin-3-yl)methyl)amino)piperidin-1-yl)methyl)-5-fluoro-1-azatricyclo(6.3.1.0^(4,12))dodeca-4,6,8(12),9-tetraen-11-oneGSK-945237 free baseUNII-U9T63BZ3ASCHEMBL3793226IGSK 945237(1r)-1-[(4-{[(6,7-Dihydro[1,4]dioxino[2,3-C]pyridazin-3-Yl)methyl]amino}piperidin-1-Yl)methyl]-9-Fluoro-1,2-Dihydro-4h-Pyrrolo[3,2,1-Ij]quinolin-4-One6EJorb1697046SCHEMBL30480761
Data from PubChem (NCBI)
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