5-[[3-[2-[(2-Anilino-5-nitropyrimidin-4-yl)amino]ethylamino]-3-oxopropyl]carbamoyl]-2-(2,7-difluoro-3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;5-[[3-[2-[3-[(2-anilino-5-nitropyrimidin-4-yl)amino]propanoylamino]ethylamino]-3-oxopropyl]carbamoyl]-2-(2,7-difluoro-3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;2-(2,7-difluoro-3-methyl-6-oxoxanthen-9-yl)-5-[6-[[2-(naphthalen-2-ylamino)-5-nitropyrimidin-4-yl]amino]hexylcarbamoyl]benzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5-[[3-[2-[(2-Anilino-5-nitropyrimidin-4-yl)amino]ethylamino]-3-oxopropyl]carbamoyl]-2-(2,7-difluoro-3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;5-[[3-[2-[3-[(2-anilino-5-nitropyrimidin-4-yl)amino]propanoylamino]ethylamino]-3-oxopropyl]carbamoyl]-2-(2,7-difluoro-3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;2-(2,7-difluoro-3-methyl-6-oxoxanthen-9-yl)-5-[6-[[2-(naphthalen-2-ylamino)-5-nitropyrimidin-4-yl]amino]hexylcarbamoyl]benzoic acid
• 英文别名: 5-[[3-[2-[(2-anilino-5-nitropyrimidin-4-yl)amino]ethylamino]-3-oxopropyl]carbamoyl]-2-(2,7-difluoro-3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;5-[[3-[2-[3-[(2-anilino-5-nitropyrimidin-4-yl)amino]propanoylamino]ethylamino]-3-oxopropyl]carbamoyl]-2-(2,7-difluoro-3-hydroxy-6-methylidenexanthen-9-yl)benzoic acid;2-(2,7-difluoro-3-methyl-6-oxoxanthen-9-yl)-5-[6-[[2-(naphthalen-2-ylamino)-5-nitropyrimidin-4-yl]amino]hexylcarbamoyl]benzoic acid
• 化学式: C119H97F6N21O24
• 分子量: 2319.2
• InChiKey: ZLBVTEJCDITKJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.2
• 重原子数：
  170
• 可旋转键数：
  40
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  659
• 氢给体数：
  17
• 氢受体数：
  42