HCID58267838

US9730937, Example 81

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-[6-methoxy-7-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]quinazolin-4-yl]sulfanylphenyl]urea

C30H37N7O6S2655.8 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc2c(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)ncnc2cc1OCCN1CCN(S(C)(=O)=O)CC1
InChIKey: QTDHGWINKPWWAB-UHFFFAOYSA-N
分子式: C30H37N7O6S2
平均分子量: 655.8 g/mol
单同位素质量: 655.22467427

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 186 Å²
氢键供体: 2
氢键受体: 12
可旋转键: 11
重原子: 45
形式电荷: 0
复杂度: 1,070

ALIASES

名称与别名

共 7 条

SCHEMBL1011452CHEMBL6025824QTDHGWINKPWWAB-UHFFFAOYSA-NUS9730937, Example 81BDBM3335391-(5-tert- butylisoxazol- 3-yl)-3-(3- (6-methoxy- 7-(2-(4- (methylsulfonyl) piperazin-1-yl) ethoxy) quinazolin-4- ylthio)phenyl) urea1-(5-tert-butylisoxazol-3-yl)-3-(3-(6-methoxy-7-(2-(4-(methylsulfonyl)piperazin-1-yl)ethoxy)quinazolin-4-ylthio)phenyl)urea

REACTIONS

参与反应

3 条

uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09320739B2

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uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08969587B2

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08618289B2

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