PROTAC EED degrader-2
HIT212666604
sdf文件结构编辑类似物检索
HIT ID: HIT212666604
Cas No: 2639882-69-0
分子式: C50H58FN11O6S
分子量: 960.14
常用名: PROTAC EED degrader-2
氢键受体数 (HBA): 12
氢键供体数 (HBD): 5
LogP: 1.7820065
IUPAC: (2S,4R)-1-[(2S)-2-(5-{3-[5-(5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-6-methylpyridin-2-yl]propanamido}pentanamido)-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-(5-{3-[5-(5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-6-methylpyridin-2-yl]propanamido}pentanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)CCc2ccc(c(C)n2)-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)C(C)(C)C)cc1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)CCc2ccc(c(C)n2)-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)C(C)(C)C)cc1
InChI key: CQSOTYMFUWTIIR-HUSBZTEESA-N
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