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SummaryGeometryRelated PDB entries

75T

Summary
Name:2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine
Formula:C24 H26 N2 O
Formal charge:0
Formula weight:358.476 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine
OpenEye OEToolkits2.0.52-methyl-3-[[4-(3-piperidin-4-ylphenyl)phenoxy]methyl]pyridine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1CNCCC1c2cc(ccc2)c3ccc(cc3)OCc4c(nccc4)C
InChIInChI1.03InChI=1S/C24H26N2O/c1-18-23(6-3-13-26-18)17-27-24-9-7-19(8-10-24)21-4-2-5-22(16-21)20-11-14-25-15-12-20/h2-10,13,16,20,25H,11-12,14-15,17H2,1H3
InChIKeyInChI1.03ABQOLQKFNLZDIM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ncccc1COc2ccc(cc2)c3cccc(c3)C4CCNCC4
SMILESCACTVS3.385Cc1ncccc1COc2ccc(cc2)c3cccc(c3)C4CCNCC4
SMILES_CANONICALOpenEye OEToolkits2.0.5Cc1c(cccn1)COc2ccc(cc2)c3cccc(c3)C4CCNCC4
SMILESOpenEye OEToolkits2.0.5Cc1c(cccn1)COc2ccc(cc2)c3cccc(c3)C4CCNCC4

224931

PDB entries from 2024-09-11

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