PROTAC IRAK3 degrade-1
HIT214323705
sdf文件结构编辑类似物检索
HIT ID: HIT214323705
Cas No: 2712600-00-3
分子式: C47H63N11O6
分子量: 878.092
常用名: PROTAC IRAK3 degrade-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-(2,6-dioxopiperidin-3-yl)-5-(4-{2-[1-(4-oxo-4-{4-[(1s,4s)-4-{[5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino}cyclohexyl]piperazin-1-yl}butanoyl)piperidin-4-yl]ethyl}piperazin-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC: 2-(2,6-dioxopiperidin-3-yl)-5-(4-{2-[1-(4-oxo-4-{4-[(1s,4s)-4-{[5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino}cyclohexyl]piperazin-1-yl}butanoyl)piperidin-4-yl]ethyl}piperazin-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione
SMILES: CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CCN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c12 |wU:15.18,12.11,(-.91,-3.09,;-1.94,-1.94,;-3.45,-2.26,;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-5.39,;2.67,-4.62,;6.67,-5.39,;6.67,-6.93,;8,-7.7,;9.34,-6.93,;9.34,-5.39,;8,-4.62,;10.67,-7.7,;10.67,-9.24,;12,-6.93,;13.34,-7.7,;14.67,-6.93,;14.67,-5.39,;16,-7.7,;16,-9.24,;17.34,-10.01,;18.67,-9.24,;20.01,-10.01,;21.34,-9.24,;22.67,-10.01,;22.67,-11.55,;24.01,-12.32,;25.34,-11.55,;25.34,-10.01,;24.01,-9.24,;26.67,-12.32,;26.67,-13.86,;28.01,-14.63,;29.34,-13.86,;30.81,-14.34,;31.28,-15.8,;31.71,-13.09,;33.25,-13.09,;34.02,-14.42,;35.56,-14.42,;36.33,-13.09,;37.87,-13.09,;35.56,-11.76,;34.02,-11.76,;33.25,-10.42,;30.81,-11.84,;31.28,-10.38,;29.34,-12.32,;28.01,-11.55,;18.67,-7.7,;17.34,-6.93,;)|
SMILES: CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CCN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c12 |wU:15.18,12.11,(-.91,-3.09,;-1.94,-1.94,;-3.45,-2.26,;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-5.39,;2.67,-4.62,;6.67,-5.39,;6.67,-6.93,;8,-7.7,;9.34,-6.93,;9.34,-5.39,;8,-4.62,;10.67,-7.7,;10.67,-9.24,;12,-6.93,;13.34,-7.7,;14.67,-6.93,;14.67,-5.39,;16,-7.7,;16,-9.24,;17.34,-10.01,;18.67,-9.24,;20.01,-10.01,;21.34,-9.24,;22.67,-10.01,;22.67,-11.55,;24.01,-12.32,;25.34,-11.55,;25.34,-10.01,;24.01,-9.24,;26.67,-12.32,;26.67,-13.86,;28.01,-14.63,;29.34,-13.86,;30.81,-14.34,;31.28,-15.8,;31.71,-13.09,;33.25,-13.09,;34.02,-14.42,;35.56,-14.42,;36.33,-13.09,;37.87,-13.09,;35.56,-11.76,;34.02,-11.76,;33.25,-10.42,;30.81,-11.84,;31.28,-10.38,;29.34,-12.32,;28.01,-11.55,;18.67,-7.7,;17.34,-6.93,;)|
InChI key: ZUODKONSNNHSAJ-AMLBMYBGSA-N
共显示1个结果
供应商规格单价货期纯度操作
TargetMol
SC
2680035日内发货 购物车
TargetMol | Target Loading
正在加载 ~