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1XD

Summary
Name:N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide
Formula:C21 H15 F2 N3 O3 S
Formal charge:0
Formula weight:427.424 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide
OpenEye OEToolkits1.7.6N-[[4-[3,5-bis(fluoranyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4nccn4cc3
InChIInChI1.03InChI=1S/C21H15F2N3O3S/c22-16-10-17(23)12-19(11-16)30(28,29)18-3-1-14(2-4-18)13-25-21(27)15-5-7-26-8-6-24-20(26)9-15/h1-12H,13H2,(H,25,27)
InChIKeyInChI1.03YECCIJSXGJHBSG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccn4ccnc4c3)cc2
SMILESCACTVS3.385Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccn4ccnc4c3)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F

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건을2024-07-17부터공개중

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