Name: SJFα
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212080532
Cas No:2254609-27-1
常用名:SJFα
别名:SJFalpha, SJF α, SJF alpha
IUPAC:N1-{3-fluoro-4-[(7-{4-[4-({[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}methoxy)butoxy]butoxy}-6-methoxyquinolin-4-yl)oxy]phenyl}-N'1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
IUPAC:N1-{3-fluoro-4-[(7-{4-[4-({[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}methoxy)butoxy]butoxy}-6-methoxyquinolin-4-yl)oxy]phenyl}-N'1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
InChI key:GXDYWQXTEYENEU-WFYKIECOSA-N

分子式:C59H67F2N7O11S
分子量:1120.28
氢键供体数 (HBD):5
氢键受体数 (HBA):12
LogP:6.2321687
SMILES:COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCCOCCCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
SMILES:COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCCOCCCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C

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