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SummaryGeometryRelated PDB entries

MIH

Summary
Name:8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide
Formula:C25 H19 Cl2 F2 N3 O
Formal charge:0
Formula weight:486.341 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-(piperidin-4-yl)-1,7-naphthyridine 7-oxide
OpenEye OEToolkits1.7.08-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxidanidyl-2-piperidin-4-yl-1,7-naphthyridin-7-ium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(c(F)c1)c2cc(nc3c2cc[n+]([O-])c3c4c(Cl)cccc4Cl)C5CCNCC5
SMILES_CANONICALCACTVS3.370[O-][n+]1ccc2c(cc(nc2c1c3c(Cl)cccc3Cl)C4CCNCC4)c5ccc(F)cc5F
SMILESCACTVS3.370[O-][n+]1ccc2c(cc(nc2c1c3c(Cl)cccc3Cl)C4CCNCC4)c5ccc(F)cc5F
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(c(c(c1)Cl)c2c3c(cc[n+]2[O-])c(cc(n3)C4CCNCC4)c5ccc(cc5F)F)Cl
SMILESOpenEye OEToolkits1.7.0c1cc(c(c(c1)Cl)c2c3c(cc[n+]2[O-])c(cc(n3)C4CCNCC4)c5ccc(cc5F)F)Cl
InChIInChI1.03InChI=1S/C25H19Cl2F2N3O/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-32(25)33)18(16-5-4-15(28)12-21(16)29)13-22(31-24)14-6-9-30-10-7-14/h1-5,8,11-14,30H,6-7,9-10H2
InChIKeyInChI1.03WLMGLORLNFEUDG-UHFFFAOYSA-N

225946

PDB entries from 2024-10-09

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