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SummaryGeometryRelated PDB entries

IWX

Summary
Name:N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide
Formula:C18 H19 F N2 O2
Formal charge:0
Formula weight:314.354 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)oxane-4-carboxamide
OpenEye OEToolkits2.0.4~{N}-[2-azanyl-5-(4-fluorophenyl)phenyl]oxane-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc2cc(c1ccc(F)cc1)ccc2N)C3CCOCC3
InChIInChI1.03InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
InChIKeyInChI1.03ZFCDNONWGMYBHA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc(cc1NC(=O)C2CCOCC2)c3ccc(F)cc3
SMILESCACTVS3.385Nc1ccc(cc1NC(=O)C2CCOCC2)c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.4c1cc(ccc1c2ccc(c(c2)NC(=O)C3CCOCC3)N)F
SMILESOpenEye OEToolkits2.0.4c1cc(ccc1c2ccc(c(c2)NC(=O)C3CCOCC3)N)F

227111

PDB entries from 2024-11-06

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