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A1AV0

Summary
Name:1-(5-{4-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Formula:C20 H20 Cl F3 N4 O3 S
Formal charge:0
Formula weight:488.911 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(5-{4-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}-2,3-dihydro-1H-indol-1-yl)ethan-1-one
OpenEye OEToolkits2.0.71-[5-[4-[6-chloranyl-4-(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)c1cc(cc(Cl)n1)C(F)(F)F
InChIInChI1.06InChI=1S/C20H20ClF3N4O3S/c1-13(29)28-5-4-14-10-16(2-3-17(14)28)32(30,31)27-8-6-26(7-9-27)19-12-15(20(22,23)24)11-18(21)25-19/h2-3,10-12H,4-9H2,1H3
InChIKeyInChI1.06XUVPJMIGLMALBU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cc(cc(Cl)n4)C(F)(F)F
SMILESCACTVS3.385CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC3)c4cc(cc(Cl)n4)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(n4)Cl)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(n4)Cl)C(F)(F)F

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PDB entries from 2026-03-18

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