Name: Nesolicaftor
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212672910
Cas No:1953130-87-4
常用名:Nesolicaftor
别名:PTI-428
IUPAC:3-phenyl-N-[(1r,3r)-3-{5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl}cyclobutyl]-1,2-oxazole-5-carboxamide
IUPAC:3-phenyl-N-[(1r,3r)-3-{5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl}cyclobutyl]-1,2-oxazole-5-carboxamide
InChI key:XPEHHUISIBFLHX-RAIGVLPGSA-N

分子式:C18H18N4O4
分子量:354.366
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:0.673739
SMILES:C[C@@H](O)c1nnc(o1)[C@H]1C[C@@H](C1)NC(=O)c1cc(no1)-c1ccccc1 |wU:10.13,wD:8.8,1.1,(-4.47,-15.54,;-2.94,-15.7,;-2.31,-17.11,;-2.03,-14.46,;-.49,-14.46,;-.01,-12.99,;-1.26,-12.09,;-2.51,-12.99,;-1.26,-10.55,;-.17,-9.46,;-1.26,-8.37,;-2.35,-9.46,;-1.26,-6.83,;-2.59,-6.06,;-3.93,-6.83,;-2.59,-4.52,;-3.84,-3.62,;-3.36,-2.15,;-1.82,-2.15,;-1.35,-3.62,;-4.27,-.9,;-5.8,-1.07,;-6.71,.18,;-6.08,1.59,;-4.55,1.75,;-3.64,.5,)|
SMILES:C[C@@H](O)c1nnc(o1)[C@H]1C[C@@H](C1)NC(=O)c1cc(no1)-c1ccccc1 |wU:10.13,wD:8.8,1.1,(-4.47,-15.54,;-2.94,-15.7,;-2.31,-17.11,;-2.03,-14.46,;-.49,-14.46,;-.01,-12.99,;-1.26,-12.09,;-2.51,-12.99,;-1.26,-10.55,;-.17,-9.46,;-1.26,-8.37,;-2.35,-9.46,;-1.26,-6.83,;-2.59,-6.06,;-3.93,-6.83,;-2.59,-4.52,;-3.84,-3.62,;-3.36,-2.15,;-1.82,-2.15,;-1.35,-3.62,;-4.27,-.9,;-5.8,-1.07,;-6.71,.18,;-6.08,1.59,;-4.55,1.75,;-3.64,.5,)|

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