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SummaryGeometryRelated PDB entries

RF3

Summary
Name:1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
Formula:C17 H17 N3 O2 S2
Formal charge:0
Formula weight:359.466 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
OpenEye OEToolkits1.5.02-thiophen-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4sccc4
SMILES_CANONICALCACTVS3.341O=C(Cc1sccc1)N2CCC(CC2)c3onc(n3)c4sccc4
SMILESCACTVS3.341O=C(Cc1sccc1)N2CCC(CC2)c3onc(n3)c4sccc4
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4
SMILESOpenEye OEToolkits1.5.0c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4
InChIInChI1.03InChI=1S/C17H17N3O2S2/c21-15(11-13-3-1-9-23-13)20-7-5-12(6-8-20)17-18-16(19-22-17)14-4-2-10-24-14/h1-4,9-10,12H,5-8,11H2
InChIKeyInChI1.03SJEVDMFUHCVNPM-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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