HCID59506945

N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-3-(1-cyano-1-methylethyl)benzamide

N-[3-[(2-acetamido-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)amino]-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide

C25H23N7O2S485.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)Nc1nc2cnc(Nc3cc(NC(=O)c4cccc(C(C)(C)C#N)c4)ccc3C)nc2s1
InChIKey: CUKQBAZBBJDENC-UHFFFAOYSA-N
分子式: C25H23N7O2S
平均分子量: 485.6 g/mol
单同位素质量: 485.16339418

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 161 Å²
氢键供体: 3
氢键受体: 8
可旋转键: 6
重原子: 35
形式电荷: 0
复杂度: 830

ALIASES

名称与别名

共 3 条

SCHEMBL2854256CUKQBAZBBJDENC-UHFFFAOYSA-NN-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-3-(1-cyano-1-methylethyl)benzamide

REACTIONS

参与反应

2 条

uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08344135B2

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

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