HCID54769746

N-(1-(4-(3-hydroxypyridin-2-yl)cyclohexyl)azetidin-3-yl)-2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamide

N-[1-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

C25H27F3N6O2500.5 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ncccc3O)CC2)C1
InChIKey: ARTSFCTVWHVYSJ-UHFFFAOYSA-N
分子式: C25H27F3N6O2
平均分子量: 500.5 g/mol
单同位素质量: 500.21475861

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 103 Å²
氢键供体: 3
氢键受体: 10
可旋转键: 6
重原子: 36
形式电荷: 0
复杂度: 744

ALIASES

名称与别名

共 5 条

N-(1-(4-(3-hydroxypyridin-2-yl)cyclohexyl)azetidin-3-yl)-2-((6-(trifluoromethyl)quinazolin-4-yl)amino)acetamideSCHEMBL9999016CHEMBL3704025BDBM163251US9062048, 1

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08518969B2

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