Name: BP14979
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212712316
Cas No:1000036-77-0
常用名:BP14979
别名:BP-14979, BP-1,4979, BP1,4979, BP 14979, BP 1,4979
别名:BP-14979, BP-1,4979, BP1,4979, BP 14979, BP 1,4979
IUPAC:3-methoxy-N-[(1r,4r)-4-{2-[4-(3-cyanophenyl)piperazin-1-yl]ethyl}cyclohexyl]propanamide
IUPAC:3-methoxy-N-[(1r,4r)-4-{2-[4-(3-cyanophenyl)piperazin-1-yl]ethyl}cyclohexyl]propanamide
InChI key:PLMAPPWZOQMTBI-XUTJKUGGSA-N

分子式:C23H34N4O2
分子量:398.551
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:2.653541
SMILES:COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(c2)C#N)CC1 |wU:7.6,wD:10.10,(6.67,-13.09,;5.33,-13.86,;4,-13.09,;2.67,-13.86,;1.33,-13.09,;1.33,-11.55,;,-13.86,;-1.33,-13.09,;-2.67,-13.86,;-4,-13.09,;-4,-11.55,;-5.33,-10.78,;-5.33,-9.24,;-6.67,-8.47,;-8,-9.24,;-9.34,-8.47,;-9.34,-6.93,;-8,-6.16,;-6.67,-6.93,;-10.67,-6.16,;-12,-6.93,;-13.34,-6.16,;-13.34,-4.62,;-12,-3.85,;-10.67,-4.62,;-12,-2.31,;-12,-.77,;-2.67,-10.78,;-1.33,-11.55,)|
SMILES:COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(c2)C#N)CC1 |wU:7.6,wD:10.10,(6.67,-13.09,;5.33,-13.86,;4,-13.09,;2.67,-13.86,;1.33,-13.09,;1.33,-11.55,;,-13.86,;-1.33,-13.09,;-2.67,-13.86,;-4,-13.09,;-4,-11.55,;-5.33,-10.78,;-5.33,-9.24,;-6.67,-8.47,;-8,-9.24,;-9.34,-8.47,;-9.34,-6.93,;-8,-6.16,;-6.67,-6.93,;-10.67,-6.16,;-12,-6.93,;-13.34,-6.16,;-13.34,-4.62,;-12,-3.85,;-10.67,-4.62,;-12,-2.31,;-12,-.77,;-2.67,-10.78,;-1.33,-11.55,)|

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 ~