HCID54578326

(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-(4-morpholin-4-yl-phenyl)-amine

7-bromo-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

C16H16BrN5O374.23 g/mol

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IDENTITY

结构与身份

标准SMILES: Brc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nn12
InChIKey: IENAZHLHWMPWED-UHFFFAOYSA-N
分子式: C16H16BrN5O
平均分子量: 374.23 g/mol
单同位素质量: 373.05382

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 54.7 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 3
重原子: 23
形式电荷: 0
复杂度: 387

ALIASES

名称与别名

共 3 条

SCHEMBL519923IENAZHLHWMPWED-UHFFFAOYSA-N(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-(4-morpholin-4-yl-phenyl)-amine

REACTIONS

参与反应

21 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID90434

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

作为反应物

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

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HRID313186

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

作为反应物

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

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HRID698716

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID827718

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID941265

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1124487

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

作为反应物

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

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HRID1128000

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

作为反应物

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

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HRID1211361

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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