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SummaryGeometryRelated PDB entries

3UL

Summary
Name:N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide
Formula:C18 H18 F3 N3 O
Formal charge:0
Formula weight:349.35 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
OpenEye OEToolkits1.9.2N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cc(c(cc1)N2CCCCC2)NC(=O)c3ccncc3
InChIInChI1.03InChI=1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)
InChIKeyInChI1.03DWFGGOFPIISJIT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c3ccncc3)c1
SMILESCACTVS3.385FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c3ccncc3)c1
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3
SMILESOpenEye OEToolkits1.9.2c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3

227344

건을2024-11-13부터공개중

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