Navarixin Anhydrous
2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
Molecular Identity
Navarixin Anhydrous
2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
PubChem CID: 9865554
2D Structure
Properties
C21H23N3O5
Molecular Formula
397.40
Molecular Weight
g/mol
397.1638
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
112
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
704
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C1=CC=C(O1)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)CIsomeric SMILES
SMILES: CC[C@H](C1=CC=C(O1)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)CSynonyms(20)
473727-83-2MK-7123MK7123Benzamide, 2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methyl-2-furanyl)propyl]amino]-3,4-dioxo-1-cyclobuten-1-yl]amino]-Benzamide, 2-hydroxy-N,N-dimethyl-3-((2-(((1R)-1-(5-methyl-2-furanyl)propyl)amino)-3,4-dioxo-1-cyclobuten-1-yl)amino)-RefChem:9275214GMU5HUX5INavarixin AnhydrousNavarixinSCH-527123Sch527123(R)-2-Hydroxy-N,N-dimethyl-3-((2-((1-(5-methylfuran-2-yl)propyl)amino)-3,4-dioxocyclobut-1-en-1-yl)amino)benzamideCHEMBL2169812-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide
Data from PubChem (NCBI)
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