HCID19374390

1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(4-methylamino-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-cyclopropyl-6-fluoro-7-[4-(methylamino)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C21H23FN4O3398.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CNC1C=CCC2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC21
InChIKey: AHEMLXCPDZWNNR-UHFFFAOYSA-N
分子式: C21H23FN4O3
平均分子量: 398.4 g/mol
单同位素质量: 398.17541877

COMPUTED

结构计算性质

已同步

XLogP: 1.2
极性表面积: 85.8 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 4
重原子: 29
形式电荷: 0
复杂度: 767

ALIASES

名称与别名

共 3 条

SCHEMBL9134891AHEMLXCPDZWNNR-UHFFFAOYSA-N1-cyclopropyl-6-fluoro-1,4-dihydro-7-(4-methylamino-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

REACTIONS

参与反应

2 条

uspto-grants-1995_11 · 10.6084/m9.figshare.5104873.v1 · US05464796

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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