HCID9805815

1-{2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-3-yl-butylamino)ethyl]-1H-indol-5-yl}4-methyl-1,4-dihydrotetrazol-5-one

1-[2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-3-ylbutylamino)ethyl]-1H-indol-5-yl]-4-methyltetrazol-5-one

C29H33N7O495.6 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(C)cc(-c2[nH]c3ccc(-n4nnn(C)c4=O)cc3c2CCNCCCCc2cccnc2)c1
InChIKey: ANQYNZAVEDJAPV-UHFFFAOYSA-N
分子式: C29H33N7O
平均分子量: 495.6 g/mol
单同位素质量: 495.2746587

COMPUTED

结构计算性质

已同步

XLogP: 5.8
极性表面积: 89 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 10
重原子: 37
形式电荷: 0
复杂度: 767

ALIASES

名称与别名

共 5 条

SCHEMBL7905321ANQYNZAVEDJAPV-UHFFFAOYSA-NL0194241-{2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-3-yl-butylamino)ethyl]-1H-indol-5-yl}4-methyl- 1,4-dihydrotetrazol-5-one1-{2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-3-yl-butylamino)ethyl]-1H-indol-5-yl}4-methyl-1,4-dihydrotetrazol-5-one

REACTIONS

参与反应

3 条

uspto-grants-2001_03 · 10.6084/m9.figshare.5104873.v1 · US06200957B1

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uspto-grants-1998_07 · 10.6084/m9.figshare.5104873.v1 · US05780437

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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