Name: Linsitinib
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212000339
Cas No:867160-71-2
常用名:Linsitinib
别名:林西替尼, OSI-906
IUPAC:(1s,3r)-3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
IUPAC:(1s,3r)-3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
InChI key:PKCDDUHJAFVJJB-VLZXCDOPSA-N

分子式:C26H23N5O
分子量:421.504
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:3.4243586
SMILES:C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |wU:4.6,1.1,wD:1.0,(-4.43,-6.27,;-4.98,-4.84,;-6.42,-5.39,;-3.54,-4.28,;-4.1,-2.85,;-5.53,-3.4,;-3.47,-1.44,;-1.96,-1.12,;-1.8,.41,;-.47,1.18,;-.47,2.72,;.87,3.49,;2.2,2.72,;3.53,3.49,;4.87,2.72,;4.87,1.18,;3.53,.41,;2.2,1.18,;.87,.41,;6.2,.41,;7.53,1.18,;8.87,.41,;8.87,-1.13,;7.53,-1.9,;6.2,-1.13,;-3.21,1.04,;-3.69,2.5,;-2.65,3.65,;-5.19,2.82,;-6.22,1.68,;-5.75,.21,;-4.24,-.11,)|
SMILES:C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |wU:4.6,1.1,wD:1.0,(-4.43,-6.27,;-4.98,-4.84,;-6.42,-5.39,;-3.54,-4.28,;-4.1,-2.85,;-5.53,-3.4,;-3.47,-1.44,;-1.96,-1.12,;-1.8,.41,;-.47,1.18,;-.47,2.72,;.87,3.49,;2.2,2.72,;3.53,3.49,;4.87,2.72,;4.87,1.18,;3.53,.41,;2.2,1.18,;.87,.41,;6.2,.41,;7.53,1.18,;8.87,.41,;8.87,-1.13,;7.53,-1.9,;6.2,-1.13,;-3.21,1.04,;-3.69,2.5,;-2.65,3.65,;-5.19,2.82,;-6.22,1.68,;-5.75,.21,;-4.24,-.11,)|

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