HCID14369670

6,11-Dihydro-11-[[3-[2-(1-piperidinyl)ethyl]-1-piperidinyl]carbonyl]-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one

11-[3-(2-piperidin-1-ylethyl)piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one

C25H31N5O2433.5 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C1Nc2ccccc2N(C(=O)N2CCCC(CCN3CCCCC3)C2)c2ncccc21
InChIKey: BDJKAHJAMPWQEH-UHFFFAOYSA-N
分子式: C25H31N5O2
平均分子量: 433.5 g/mol
单同位素质量: 433.24777525

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 68.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 32
形式电荷: 0
复杂度: 667

ALIASES

名称与别名

共 3 条

SCHEMBL9673861BDJKAHJAMPWQEH-UHFFFAOYSA-N6,11-Dihydro-11-[[3-[2-(1-piperidinyl)ethyl]-1-piperidinyl]carbonyl]-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one

REACTIONS

参与反应

2 条

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

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uspto-grants-1990_06 · 10.6084/m9.figshare.5104873.v1 · US04931436

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