HCID25066989

7-Methoxy-4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfinyl)quinoline

7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfinyl]quinoline

C22H17N5O2S415.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc2c(S(=O)Cc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIKey: QYCYUTUBUKMNQA-UHFFFAOYSA-N
分子式: C22H17N5O2S
平均分子量: 415.5 g/mol
单同位素质量: 415.11029598

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 101 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 5
重原子: 30
形式电荷: 0
复杂度: 604

ALIASES

名称与别名

共 6 条

SCHEMBL2697245CHEMBL3663583QYCYUTUBUKMNQA-UHFFFAOYSA-NBDBM164405US9066954, 197-methoxy-4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfinyl)quinoline

REACTIONS

参与反应

5 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08524900B2

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198448B2

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08212041B2

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uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08217177B2

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uspto-grants-2015_06 · 10.6084/m9.figshare.5104873.v1 · US09066954B2

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