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QK0

Summary
Name:N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
Formula:C20 H14 Cl F N4 O3 S2
Formal charge:0
Formula weight:476.932 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
OpenEye OEToolkits1.7.0N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]pyridin-3-yl]-1,3-benzothiazol-2-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(cc1)S(=O)(=O)Nc4cc(c2ccc3nc(sc3c2)NC(=O)C)cnc4Cl
SMILES_CANONICALCACTVS3.370CC(=O)Nc1sc2cc(ccc2n1)c3cnc(Cl)c(N[S](=O)(=O)c4ccc(F)cc4)c3
SMILESCACTVS3.370CC(=O)Nc1sc2cc(ccc2n1)c3cnc(Cl)c(N[S](=O)(=O)c4ccc(F)cc4)c3
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)Cl)NS(=O)(=O)c4ccc(cc4)F
SMILESOpenEye OEToolkits1.7.0CC(=O)Nc1nc2ccc(cc2s1)c3cc(c(nc3)Cl)NS(=O)(=O)c4ccc(cc4)F
InChIInChI1.03InChI=1S/C20H14ClFN4O3S2/c1-11(27)24-20-25-16-7-2-12(9-18(16)30-20)13-8-17(19(21)23-10-13)26-31(28,29)15-5-3-14(22)4-6-15/h2-10,26H,1H3,(H,24,25,27)
InChIKeyInChI1.03YGBMCLDVRUGXOV-UHFFFAOYSA-N

224201

数据于2024-08-28公开中

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