Name: CMP98
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212080590
Cas No:2244684-50-0
常用名:CMP98
IUPAC:N,N'-bis[(2S)-1-[(2S,4S)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3,6,9,12,15,18-hexaoxaicosanediamide
IUPAC:N,N'-bis[(2S)-1-[(2S,4S)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3,6,9,12,15,18-hexaoxaicosanediamide
InChI key:WGJCHHJGGFCCRS-NFXWONMQSA-N

分子式:C58H82N8O14S2
分子量:1179.46
氢键供体数 (HBD):6
氢键受体数 (HBA):16
LogP:0.63109255
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)C(C)(C)C)cc1

CMP98, a proteolysis targeting chimera (PROTAC), exhibits a lack of VHL degradation efficacy. It can function as a negative control compound in comparison to CM11. CMP98 comprises two von Hippel-Lindau ligands operating within their active domains.

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