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A1D96

Summary
Name:~{N}-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine
Synonyms:GSK'872
Formula:C19 H17 N3 O2 S2
Formal charge:0
Formula weight:383.487 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H17N3O2S2/c1-12(2)26(23,24)14-4-5-16-15(10-14)17(7-8-20-16)22-13-3-6-19-18(9-13)21-11-25-19/h3-12H,1-2H3,(H,20,22)
InChIKeyInChI1.06ZCDBTQNFAPKACC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)[S](=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1
SMILESCACTVS3.385CC(C)[S](=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3ccc4c(c3)ncs4
SMILESOpenEye OEToolkits2.0.7CC(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3ccc4c(c3)ncs4

247536

PDB entries from 2026-01-14

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