HCID135925170

5-{2-[4-(3-Dimethylamino-propyloxy)-phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl}-indan-1-one Oxime

N-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

C28H29N5O2467.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CN(C)CCCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1
InChIKey: CWBLXJCKFLHZEE-UHFFFAOYSA-N
分子式: C28H29N5O2
平均分子量: 467.6 g/mol
单同位素质量: 467.23212518

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 86.6 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 8
重原子: 35
形式电荷: 0
复杂度: 689

ALIASES

名称与别名

共 5 条

CHEMBL586863SCHEMBL5406959CWBLXJCKFLHZEE-UHFFFAOYSA-N5-{2-[4(3-Dimethylamino-propyloxy)-phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl}-indan-1-one oxime5-{2-[4-(3-Dimethylamino-propyloxy)-phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl}-indan-1-one Oxime

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2007_04 · 10.6084/m9.figshare.5104873.v1 · US07199137B2

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