UNC2025
HIT212016423
sdf文件结构编辑类似物检索
HIT ID: HIT212016423
Cas No: 1429881-91-3
分子式: C28H40N6O
分子量: 476.669
常用名: UNC2025
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 4.0633926
IUPAC: (1r,4r)-4-[2-(butylamino)-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
IUPAC: (1r,4r)-4-[2-(butylamino)-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
SMILES: CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |wU:15.15,wD:12.11,(8.25,-7.16,;6.92,-6.39,;6.92,-4.85,;5.58,-4.08,;5.58,-2.54,;4.25,-1.77,;4.25,-.23,;2.92,.54,;1.58,-.23,;.12,.25,;-.79,-1,;.12,-2.24,;-.36,-3.71,;-1.86,-4.03,;-2.34,-5.49,;-1.31,-6.64,;-1.79,-8.1,;.2,-6.31,;.67,-4.85,;1.58,-1.77,;2.92,-2.54,;-.36,1.72,;-1.86,2.04,;-2.34,3.5,;-1.31,4.64,;-1.79,6.11,;-3.29,6.43,;-4.32,5.28,;-5.83,5.61,;-6.31,7.07,;-7.81,7.39,;-5.27,8.21,;-3.77,7.89,;.2,4.32,;.67,2.86,)|
SMILES: CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |wU:15.15,wD:12.11,(8.25,-7.16,;6.92,-6.39,;6.92,-4.85,;5.58,-4.08,;5.58,-2.54,;4.25,-1.77,;4.25,-.23,;2.92,.54,;1.58,-.23,;.12,.25,;-.79,-1,;.12,-2.24,;-.36,-3.71,;-1.86,-4.03,;-2.34,-5.49,;-1.31,-6.64,;-1.79,-8.1,;.2,-6.31,;.67,-4.85,;1.58,-1.77,;2.92,-2.54,;-.36,1.72,;-1.86,2.04,;-2.34,3.5,;-1.31,4.64,;-1.79,6.11,;-3.29,6.43,;-4.32,5.28,;-5.83,5.61,;-6.31,7.07,;-7.81,7.39,;-5.27,8.21,;-3.77,7.89,;.2,4.32,;.67,2.86,)|
InChI key: MJSHVHLADKXCML-RQNOJGIXSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
3431-3天99.53% 购物车
BIONET-Key Organics
BB
136583-5周 购物车
TargetMol | Target Loading
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