Name: TNF-α-IN-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320971
Cas No:2074702-04-6
常用名:TNF-α-IN-2
别名:TNFα-IN-2
IUPAC:3-[(1R)-1-({3-chloro-7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methyl-1,5-naphthyridin-4-yl}amino)ethyl]-4-fluorobenzonitrile
IUPAC:3-[(1R)-1-({3-chloro-7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methyl-1,5-naphthyridin-4-yl}amino)ethyl]-4-fluorobenzonitrile
InChI key:UDLNDXDUOBMZIQ-GFCCVEGCSA-N

分子式:C25H21ClF2N6O
分子量:494.93
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H](Nc1c(Cl)c(C)nc2cc(F)c(nc12)-c1cnc(nc1)C(C)(C)O)c1cc(ccc1F)C#N
SMILES:C[C@@H](Nc1c(Cl)c(C)nc2cc(F)c(nc12)-c1cnc(nc1)C(C)(C)O)c1cc(ccc1F)C#N

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