Name: Mcl-1 inhibitor 12
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218852396
Cas No:2445466-24-8
常用名:Mcl-1 inhibitor 12
IUPAC:(2R)-2-[(5-{3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}-6-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)oxy]-3-(2-{[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}phenyl)propanoic acid
IUPAC:(2R)-2-[(5-{3-chloro-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}-6-(4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)oxy]-3-(2-{[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}phenyl)propanoic acid
InChI key:RZFHVQOYGCVTAG-VQJSHJPSSA-N

分子式:C47H45ClFN7O6
分子量:858.37
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccccc1-c1nccc(COc2ccccc2C[C@@H](Oc2ncnn3cc(c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)-c2ccc(F)cc2)C(O)=O)n1
SMILES:COc1ccccc1-c1nccc(COc2ccccc2C[C@@H](Oc2ncnn3cc(c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)-c2ccc(F)cc2)C(O)=O)n1

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