HCID18969239

N-[2-(4-(3-hydroxy-1-adamantylcarbonylamino)-1-piperidinyl)ethyl]-1-(2-propyl)-1H-indazole-3-carboxamide oxalate

N-[2-[4-[(3-hydroxyadamantane-1-carbonyl)amino]piperidin-1-yl]ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid

C31H43N5O7597.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)n1nc(C(=O)NCCN2CCC(NC(=O)C34CC5CC(CC(O)(C5)C3)C4)CC2)c2ccccc21.O=C(O)C(=O)O
InChIKey: VKTGRZSZAVIWTP-UHFFFAOYSA-N
分子式: C31H43N5O7
平均分子量: 597.7 g/mol
单同位素质量: 597.31624873

COMPUTED

结构计算性质

已同步

极性表面积: 174 Å²
氢键供体: 5
氢键受体: 9
可旋转键: 8
重原子: 43
形式电荷: 0
复杂度: 929

ALIASES

名称与别名

共 3 条

SCHEMBL7396492VKTGRZSZAVIWTP-UHFFFAOYSA-NN-[2-(4-(3-hydroxy-1-adamantylcarbonylamino)-1-piperidinyl)ethyl]-1-(2-propyl)-1H-indazole-3-carboxamide oxalate

REACTIONS

参与反应

2 条

uspto-grants-1998_10 · 10.6084/m9.figshare.5104873.v1 · US05817676

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uspto-grants-1997_08 · 10.6084/m9.figshare.5104873.v1 · US05654320

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