Name: PROTAC_ERRalpha
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212717829
Cas No:1801547-15-8
常用名:PROTAC_ERRalpha
IUPAC:(2S,4R)-1-[(2S)-2-(3-{2-[(5Z)-5-({4-[4-cyano-2-(trifluoromethyl)phenoxy]-3-methoxyphenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethoxy}propanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-(3-{2-[(5Z)-5-({4-[4-cyano-2-(trifluoromethyl)phenoxy]-3-methoxyphenyl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethoxy}propanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:IIJORMBEWMYDEN-FRKKMCEPSA-N

分子式:C46H47F3N6O9S2
分子量:949.03
氢键供体数 (HBD):3
氢键受体数 (HBA):10
LogP:4.710943
SMILES:COc1cc(\C=C2/SC(=O)N(CCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)C2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N
SMILES:COc1cc(\C=C2/SC(=O)N(CCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)C2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N

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