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结构：COC(=O)c1cc(C#N)ccc1CN(Cc1ncc(C)cc1C)C1CCCc2cccnc21
HCID67272621

5-Cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8yl)amino]-methyl}-benzoic acid methyl ester

methyl 5-cyano-2-[[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzoate

C27H28N4O2440.5 g/mol
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IDENTITY

结构与身份

标准 SMILES
COC(=O)c1cc(C#N)ccc1CN(Cc1ncc(C)cc1C)C1CCCc2cccnc21
InChIKey
BPSLXLDTDAXNDC-UHFFFAOYSA-N
分子式
C27H28N4O2
平均分子量
440.5 g/mol
单同位素质量
440.22122615

COMPUTED

结构计算性质

已同步
XLogP
3.8
极性表面积
79.1 Ų
氢键供体
0
氢键受体
6
可旋转键
7
重原子
33
形式电荷
0
复杂度
705

ALIASES

名称与别名

共 5 条
SCHEMBL2084781BPSLXLDTDAXNDC-UHFFFAOYSA-N5-cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8y1)amino]-methyl}-benzoic acid methyl ester5-cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8yl)-amino]-methyl}-benzoic acid methyl ester5-cyano-2-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8yl)amino]-methyl}-benzoic acid methyl ester

REACTIONS

参与反应

8 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
HRID1229320

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

作为生成物
HRID 1229320 方程式

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

查看条件与参与物
HRID2341894

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

作为生成物
HRID 2341894 方程式

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

查看条件与参与物