Selpercatinib
HIT212037431
sdf文件结构编辑类似物检索
HIT ID: HIT212037431
Cas No: 2152628-33-4
分子式: C29H31N7O3
分子量: 525.613
常用名: Selpercatinib
氢键受体数 (HBA): 9
氢键供体数 (HBD): 1
LogP: 3.1393874
IUPAC: 6-(2-hydroxy-2-methylpropoxy)-4-(6-{6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl}pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
IUPAC: 6-(2-hydroxy-2-methylpropoxy)-4-(6-{6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl}pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILES: COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
SMILES: COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
InChI key: XIIOFHFUYBLOLW-UHFFFAOYSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
3131-3天100.00% 购物车
BIONET-Key Organics
BB
116343-5周 购物车
TargetMol | Target Loading
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