UNC2025 hydrochloride
HIT214322992
sdf文件结构编辑类似物检索
HIT ID: HIT214322992
Cas No: 2070015-17-5
分子式: C28H41ClN6O
分子量: 513.13
常用名: UNC2025 hydrochloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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 hydrochloride
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 hydrochloride
SMILES: Cl.CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |wU:13.11,wD:16.15,(14.87,,;10.69,-2.93,;9.36,-2.16,;8.02,-2.93,;6.69,-2.16,;5.35,-2.93,;4.02,-2.16,;4.02,-.62,;2.69,.15,;1.35,-.62,;-.11,-.15,;-1.02,-1.39,;-.11,-2.64,;-.59,-4.1,;.44,-5.25,;-.03,-6.71,;-1.54,-7.03,;-2.01,-8.5,;-2.57,-5.89,;-2.09,-4.42,;1.35,-2.16,;2.69,-2.93,;-.59,1.32,;-2.09,1.64,;-2.57,3.1,;-1.54,4.25,;-2.01,5.71,;-3.52,6.03,;-4.55,4.89,;-6.06,5.21,;-6.53,6.67,;-8.04,6.99,;-5.5,7.82,;-4,7.5,;-.03,3.93,;.44,2.46,)|
SMILES: Cl.CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |wU:13.11,wD:16.15,(14.87,,;10.69,-2.93,;9.36,-2.16,;8.02,-2.93,;6.69,-2.16,;5.35,-2.93,;4.02,-2.16,;4.02,-.62,;2.69,.15,;1.35,-.62,;-.11,-.15,;-1.02,-1.39,;-.11,-2.64,;-.59,-4.1,;.44,-5.25,;-.03,-6.71,;-1.54,-7.03,;-2.01,-8.5,;-2.57,-5.89,;-2.09,-4.42,;1.35,-2.16,;2.69,-2.93,;-.59,1.32,;-2.09,1.64,;-2.57,3.1,;-1.54,4.25,;-2.01,5.71,;-3.52,6.03,;-4.55,4.89,;-6.06,5.21,;-6.53,6.67,;-8.04,6.99,;-5.5,7.82,;-4,7.5,;-.03,3.93,;.44,2.46,)|
InChI key: NYHAEAZNSGIAPV-FBGQUBCLSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
4955日内发货 购物车
Mcule
SC
8304-5周 购物车
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