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A1AVY

Summary
Name:1-(5-{4-[6-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Formula:C20 H21 F3 N4 O3 S
Formal charge:0
Formula weight:454.466 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(5-{4-[6-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one
OpenEye OEToolkits2.0.71-[5-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1cc2CCN(C(C)=O)c2cc1)N1CCN(CC1)c1cccc(n1)C(F)(F)F
InChIInChI1.06InChI=1S/C20H21F3N4O3S/c1-14(28)27-8-7-15-13-16(5-6-17(15)27)31(29,30)26-11-9-25(10-12-26)19-4-2-3-18(24-19)20(21,22)23/h2-6,13H,7-12H2,1H3
InChIKeyInChI1.06LPPSOZAQNMLFLJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cccc(n4)C(F)(F)F
SMILESCACTVS3.385CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cccc(n4)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cccc(n4)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cccc(n4)C(F)(F)F

250835

PDB entries from 2026-03-18

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