Name: XF067-68
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850617
Cas No:2407452-79-1
常用名:XF067-68
IUPAC:N-{2'-fluoro-5'-[({[(2S)-1-[(2R,4S)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}methyl)carbamoyl]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-[1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
IUPAC:N-{2'-fluoro-5'-[({[(2S)-1-[(2R,4S)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}methyl)carbamoyl]-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-[1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
InChI key:HBHSDSLZXDASLT-QNNIUDCHSA-N

分子式:C52H59F4N9O7S
分子量:1030.15
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)CNC(=O)c1ccc(F)c(c1)-c1ccc(N2C[C@H](C)N(C)[C@H](C)C2)c(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c1)C(C)(C)C)c1ccc(cc1)-c1scnc1C
SMILES:C[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)CNC(=O)c1ccc(F)c(c1)-c1ccc(N2C[C@H](C)N(C)[C@H](C)C2)c(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c1)C(C)(C)C)c1ccc(cc1)-c1scnc1C

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