1-(2-amino-3-hydroxy-4-methoxy-5,6-dioxocyclohexa-1,3-dien-1-yl)-6-[4-[5-[[4-[3-carbamoyl-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-7-hydroxy-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-1-yl]-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl]oxymethyl]-2-oxopiperidin-1-yl]phenyl]-7-hydroxy-4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(2-amino-3-hydroxy-4-methoxy-5,6-dioxocyclohexa-1,3-dien-1-yl)-6-[4-[5-[[4-[3-carbamoyl-6-[4-(3,3-dihydroxy-2-oxopiperidin-1-yl)phenyl]-7-hydroxy-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-1-yl]-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl]oxymethyl]-2-oxopiperidin-1-yl]phenyl]-7-hydroxy-4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide
• 化学式: C₅₀H₄₉N₁₁O₁₇
• 分子量: 1076.0
• InChiKey: KEIQQOBETQFWJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  78
• 可旋转键数：
  12
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  418
• 氢给体数：
  12
• 氢受体数：
  24