HCID44516307

4-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)benzoic acid

4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzoic acid

C25H27N7O5505.5 g/molCAS 1197160-66-9

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IDENTITY

结构与身份

标准SMILES: O=C(Nc1ccc(C(=O)O)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIKey: ZXONVJJRRBXWDX-UHFFFAOYSA-N
分子式: C25H27N7O5
平均分子量: 505.5 g/mol
单同位素质量: 505.20736699

COMPUTED

结构计算性质

等待补全

XLogP: 1.9
极性表面积: 142 Å²
氢键供体: 3
氢键受体: 10
可旋转键: 6
重原子: 37
形式电荷: 0
复杂度: 722

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 25 条

1197160-66-94-(3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)benzoic acid4-[({4-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}carbamoyl)amino]benzoic acidCHEMBL597824MFCD168756784-[[[[4-(4,6-Di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]amino]carbonyl]amino]benzoic acid4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzoic acid4-(3-(4-(4,6-dimorpholino-1,3,5-triazin-2yl)phenyl)ureido)benzoic acid4-[3-[4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)phenyl]ureido]benzoic Acid4-[3-{4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl}ureido]benzoic acid4-[3-{4-(4,6-dimorpholino-1,3,5-triazin-2yl)phenyl}ureido]benzoic acidSCHEMBL324672AN6UJ527Worb3177152ZXONVJJRRBXWDX-UHFFFAOYSA-NBDBM50308154AKOS005766015EE-0056SY316870H39446

REACTIONS

参与反应

84 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748421B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748421B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748421B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748421B2

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