Name: XF056-132
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850601
Cas No:2407450-73-9
常用名:XF056-132
IUPAC:N-{2'-fluoro-5'-[({[(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}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-[(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}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:OJCYPKZNPSJLGY-KQNJQULYSA-N

分子式:C51H57F4N9O7S
分子量:1016.13
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H]1CN(C[C@@H](C)N1C)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cc(ccc1F)C(=O)NCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
SMILES:C[C@H]1CN(C[C@@H](C)N1C)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cc(ccc1F)C(=O)NCC(=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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