HCID44242970

1-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-3-{3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yloxy]phenyl}urea

1-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-[3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxyphenyl]urea

C29H24F4N6O5612.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COCCOc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(F)(F)F)nn4-c4ccc(F)cc4)c3)c2cc1OC
InChIKey: NJXGQGHBHXXZTN-UHFFFAOYSA-N
分子式: C29H24F4N6O5
平均分子量: 612.5 g/mol
单同位素质量: 612.17443054

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 122 Å²
氢键供体: 2
氢键受体: 12
可旋转键: 10
重原子: 44
形式电荷: 0
复杂度: 916

ALIASES

名称与别名

共 6 条

1-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-3-{3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yloxy]phenyl}ureaSCHEMBL1015362CHEMBL5955358BDBM333676US9730937, Example 2261-[1-(4- fluorophenyl)-3- (trifluoromethyl)- 1H- pyrazol-5- yl]-3-{3-[6- methoxy-7- (2-methoxyethoxy) quinazolin- 4-yloxy]phenyl} urea

REACTIONS

参与反应

4 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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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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

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