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NXQ

Summary
Name:2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid
Formula:C17 H17 F N O5 S
Formal charge:-1
Formula weight:366.384 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[5-fluoranyl-2-[[3-[methyl(oxidanyl)sulfanuidyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H17FNO5S/c1-25(23)13-4-2-3-11(7-13)9-19-17(22)14-6-5-12(18)8-15(14)24-10-16(20)21/h2-8,23H,9-10H2,1H3,(H,19,22)(H,20,21)/q-1
InChIKeyInChI1.03QWECZCOMCCHXGA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S@-](O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1
SMILESCACTVS3.385C[S-](O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)O
SMILESOpenEye OEToolkits2.0.7C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)O

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数据于2024-07-17公开中

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