Name: IRAK4-IN-6
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672359
Cas No:2454244-02-9
常用名:IRAK4-IN-6
IUPAC:methyl 4-[(1r,4r)-4-{[6-(cyanomethyl)-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino}cyclohexyl]piperazine-1-carboxylate
IUPAC:methyl 4-[(1r,4r)-4-{[6-(cyanomethyl)-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino}cyclohexyl]piperazine-1-carboxylate
InChI key:RPGMSHCJIWHISY-IRJFHVNHSA-N

分子式:C25H32N10O2
分子量:504.599
氢键供体数 (HBD):2
氢键受体数 (HBA):9
LogP:2.103199
SMILES:COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(CC#N)nc12 |wU:13.17,wD:10.10,(10.67,-12.32,;9.34,-11.55,;9.34,-10.01,;10.67,-9.24,;8,-9.24,;6.67,-10.01,;5.33,-9.24,;5.33,-7.7,;6.67,-6.93,;8,-7.7,;4,-6.93,;4,-5.39,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;,-4.62,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.42,2.45,;-1.9,3.91,;-3.44,3.91,;-4.34,5.16,;-3.91,2.45,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;5.33,-6.16,;2.67,-3.08,;1.33,-2.31,)|
SMILES:COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(CC#N)nc12 |wU:13.17,wD:10.10,(10.67,-12.32,;9.34,-11.55,;9.34,-10.01,;10.67,-9.24,;8,-9.24,;6.67,-10.01,;5.33,-9.24,;5.33,-7.7,;6.67,-6.93,;8,-7.7,;4,-6.93,;4,-5.39,;2.67,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;,-4.62,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.42,2.45,;-1.9,3.91,;-3.44,3.91,;-4.34,5.16,;-3.91,2.45,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;5.33,-6.16,;2.67,-3.08,;1.33,-2.31,)|

市场产品/服务共显示1个结果

您无法确定哪种化合物库最适合您的项目？或者您需要定制解决方案？Anymole随时为您提供帮助。

电话：400820-0310

合作：info@screeningcompound.com

技术支持：tech@screeningcompound.com

客服：service@screeningcompound.com

正在加载 ~