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06Z

Summary
Name:{4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
Formula:C16 H12 F N3 O S
Formal charge:0
Formula weight:313.349 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
OpenEye OEToolkits1.7.0[4-azanyl-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl]-phenyl-methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc3cc(Nc1nc(c(s1)C(=O)c2ccccc2)N)ccc3
SMILES_CANONICALCACTVS3.370Nc1nc(Nc2cccc(F)c2)sc1C(=O)c3ccccc3
SMILESCACTVS3.370Nc1nc(Nc2cccc(F)c2)sc1C(=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N
InChIInChI1.03InChI=1S/C16H12FN3OS/c17-11-7-4-8-12(9-11)19-16-20-15(18)14(22-16)13(21)10-5-2-1-3-6-10/h1-9H,18H2,(H,19,20)
InChIKeyInChI1.03CGDCHWZCEONCMK-UHFFFAOYSA-N

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건을2024-07-17부터공개중

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