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A1D97

Summary
Name:2-cyclopentyl-~{N}-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine
Formula:C24 H25 N3 O2 S2
Formal charge:0
Formula weight:451.604 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-cyclopentyl-~{N}-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H25N3O2S2/c1-15(2)31(28,29)18-8-9-20-19(14-18)21(11-12-25-20)26-17-7-10-23-22(13-17)27-24(30-23)16-5-3-4-6-16/h7-16H,3-6H2,1-2H3,(H,25,26)
InChIKeyInChI1.06PVKIFNZMYGMWPD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)[S](=O)(=O)c1ccc2nccc(Nc3ccc4sc(nc4c3)C5CCCC5)c2c1
SMILESCACTVS3.385CC(C)[S](=O)(=O)c1ccc2nccc(Nc3ccc4sc(nc4c3)C5CCCC5)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3ccc4c(c3)nc(s4)C5CCCC5
SMILESOpenEye OEToolkits2.0.7CC(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3ccc4c(c3)nc(s4)C5CCCC5

247536

PDB entries from 2026-01-14

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