Afabicin
[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl dihydrogen phosphate
Molecular Identity
Afabicin
[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl dihydrogen phosphate
PubChem CID: 72696796
2D Structure
Properties
C23H24N3O7P
Molecular Formula
485.40
Molecular Weight
g/mol
485.1352
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
133
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
833
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(OC2=CC=CC=C12)CN(C)C(=O)C=CC3=CC4=C(N=C3)N(C(=O)CC4)COP(=O)(O)OIsomeric SMILES
SMILES: CC1=C(OC2=CC=CC=C12)CN(C)C(=O)/C=C/C3=CC4=C(N=C3)N(C(=O)CC4)COP(=O)(O)OSynonyms(20)
Afabicin1518800-35-5Debio1450afabicinaafabicineAFN-1720DEBIO-1450DMM8663H2R[6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl dihydrogen phosphateAFN1720(6-((1E)-3-(Methyl((3-methyl-1-benzofuran-2-yl)methyl)amino)-3-oxoprop-1-en-1-yl)-2-oxo-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)methyl dihydrogen phosphate2-Propenamide, N-methyl-N-((3-methyl-2-benzofuranyl)methyl)-3-(5,6,7,8-tetrahydro-7-oxo-8-((phosphonooxy)methyl)-1,8-naphthyridin-3-yl)-, (2E)-(6-((1E)-3-(Methyl((3-methyl-1-benzofuran-2-yl)methyl)amino)-3-oxo-1-propen-1-yl)-2-oxo-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)methyl dihydrogen phosphateafabicinum(6-((E)-3-(methyl-((3-methyl-1-benzofuran-2-yl)methyl)amino)-3-oxoprop-1-enyl)-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)methyl dihydrogen phosphate
Data from PubChem (NCBI)
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