Name: LU AA33810
Rating: 5 (10 reviews)

待询

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212709128
Cas No:304008-29-5
常用名:LU AA33810
IUPAC:N-{[(1r,4r)-4-{[(4Z)-5,9-dithia-3-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2(6),10,12-tetraen-4-ylidene]amino}cyclohexyl]methyl}methanesulfonamide
IUPAC:N-{[(1r,4r)-4-{[(4Z)-5,9-dithia-3-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2(6),10,12-tetraen-4-ylidene]amino}cyclohexyl]methyl}methanesulfonamide
InChI key:UWSBTSAJZMIHBL-HDJSIYSDSA-N

分子式:C19H25N3O2S3
分子量:423.61
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:2.2807636
SMILES:[H][C@]1(CNS(C)(=O)=O)CC[C@@]([H])(CC1)\N=c1\[nH]c-2c(CCSc3ccccc-23)s1 |wU:1.1,10.10,wD:1.0,10.14,(16.3,.85,;15.14,-.16,;16.59,-.66,;17.76,.34,;19.21,-.16,;20.67,-.67,;19.72,1.29,;18.7,-1.62,;13.97,-1.16,;12.52,-.66,;12.23,.85,;11.94,2.37,;13.39,1.86,;14.85,1.35,;10.77,1.36,;9.61,.35,;8.11,.71,;7.31,-.61,;8.32,-1.78,;8.03,-3.29,;6.67,-4.01,;5.26,-3.4,;4.86,-1.91,;3.33,-1.74,;2.71,-.33,;3.62,.91,;5.15,.74,;5.77,-.67,;9.74,-1.18,)|
SMILES:[H][C@]1(CNS(C)(=O)=O)CC[C@@]([H])(CC1)\N=c1\[nH]c-2c(CCSc3ccccc-23)s1 |wU:1.1,10.10,wD:1.0,10.14,(16.3,.85,;15.14,-.16,;16.59,-.66,;17.76,.34,;19.21,-.16,;20.67,-.67,;19.72,1.29,;18.7,-1.62,;13.97,-1.16,;12.52,-.66,;12.23,.85,;11.94,2.37,;13.39,1.86,;14.85,1.35,;10.77,1.36,;9.61,.35,;8.11,.71,;7.31,-.61,;8.32,-1.78,;8.03,-3.29,;6.67,-4.01,;5.26,-3.4,;4.86,-1.91,;3.33,-1.74,;2.71,-.33,;3.62,.91,;5.15,.74,;5.77,-.67,;9.74,-1.18,)|

市场产品/服务共显示0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 ~