Name: p53-HDM2-IN-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912471
Cas No:
常用名:p53-HDM2-IN-1
IUPAC:4-(2-{4-[(2R,3S)-1-[2-hydroxy-4-(trifluoromethyl)pyridine-3-carbonyl]-2-propyl-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidine-3-carbonyl]piperazin-1-yl}phenoxy)butanoic acid
IUPAC:4-(2-{4-[(2R,3S)-1-[2-hydroxy-4-(trifluoromethyl)pyridine-3-carbonyl]-2-propyl-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidine-3-carbonyl]piperazin-1-yl}phenoxy)butanoic acid
InChI key:InChIKey=PXWZEKDNBWCLMD-NYFMKLKXSA-N

分子式:C35H38F6N4O7S
分子量:772.76
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCCC(O)=O)C(=O)c1c(O)nccc1C(F)(F)F
SMILES:CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCCC(O)=O)C(=O)c1c(O)nccc1C(F)(F)F

p53-HDM2-IN-1 是一种有效的 p53-HDM2蛋白-蛋白相互作用抑制剂，IC50值为 0.103 μM。p53-HDM2-IN-1 可用于癌症研究。

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