名称: methyl 3-[4-[6-(1-hydroxybutan-2-ylamino)-2-oxo-3-propyl-7H-purin-8-yl]-1-bicyclo[2.2.2]octanyl]propanoate
SMILES:
CCCN1C2=C(C(=NC1=O)NC(CC)CO)NC(=N2)C34CCC(CC3)(CC4)CCC(=O)OC分子加工
分子式
C24H37N5O4
分子量
459.59
精确质量
459.2846
XLogP
3.26
TPSA
122.13
氢键给体数
3
氢键受体数
7
可旋转键
10
重原子数
33
环数
5
芳香环
2
饱和环
3
脂环
3
立体中心
1
未定义立体
1
形式电荷
0
杂原子数
9
共价单元
1
sp3占比
0.75
摩尔折射率
126.29
补充信息
InChIKey: KOCYRSRIPDIWKJ-UHFFFAOYSA-N
同义词
3-{4-[6-(1-Hydroxymethyl-propylamino)-2-oxo-3-propyl-3,7-dihydro2H-purin-8-yl]-bicyclo[2.2.2]oct-1-yl]-propionic acid methyl ester3-{4-[6-(1-Hydroxymethyl-propylamino)-2-oxo-3-propyl-3,7-dihydro2H-purin-8-yl]-bicyclo[2.2.2]oct-1-yl}-propionic acid methyl esterSCHEMBL4692093KOCYRSRIPDIWKJ-UHFFFAOYSA-N3-{4-[6-(1-Hydroxymethyl-propylamino)-2-oxo-3-propyl-3,7-dihydro-2 H-purin-8-yl]-bicyclo[2.2.2]oct-1-yl}-propionic acid methyl ester3-{4-[6-(1-Hydroxymethyl-propylamino)-2-oxo-3-propyl-3,7-dihydro-2H-purin-8-yl]-bicyclo[2.2.2]oct-1-yl}-propionic acid methyl ester
参与 5 个反应→