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SummaryGeometryRelated PDB entries

ZDK

Summary
Name:1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine
Formula:C23 H27 N3 O2
Formal charge:0
Formula weight:377.479 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine
OpenEye OEToolkits2.0.73-(diphenylmethyl)-5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COCC1CCN(CC1)Cc1nc(no1)C(c1ccccc1)c1ccccc1
InChIInChI1.06InChI=1S/C23H27N3O2/c1-27-17-18-12-14-26(15-13-18)16-21-24-23(25-28-21)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,22H,12-17H2,1H3
InChIKeyInChI1.06XYPQCOBQQQTCFN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCC1CCN(CC1)Cc2onc(n2)C(c3ccccc3)c4ccccc4
SMILESCACTVS3.385COCC1CCN(CC1)Cc2onc(n2)C(c3ccccc3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7COCC1CCN(CC1)Cc2nc(no2)C(c3ccccc3)c4ccccc4
SMILESOpenEye OEToolkits2.0.7COCC1CCN(CC1)Cc2nc(no2)C(c3ccccc3)c4ccccc4

221051

PDB entries from 2024-06-12

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