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SummaryGeometryRelated PDB entries

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Summary
Name:(2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine
Formula:C21 H17 Cl N2 O2
Formal charge:0
Formula weight:364.825 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H17ClN2O2/c22-18-9-5-4-8-16(18)15-10-11-19-17(12-15)21(24-26-19)25-20(13-23)14-6-2-1-3-7-14/h1-12,20H,13,23H2/t20-/m0/s1
InChIKeyInChI1.03HHSLFPVGKCXEOG-FQEVSTJZSA-N
SMILES_CANONICALCACTVS3.385NC[C@H](Oc1noc2ccc(cc12)c3ccccc3Cl)c4ccccc4
SMILESCACTVS3.385NC[CH](Oc1noc2ccc(cc12)c3ccccc3Cl)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)[C@H](CN)Oc2c3cc(ccc3on2)c4ccccc4Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C(CN)Oc2c3cc(ccc3on2)c4ccccc4Cl

218853

PDB entries from 2024-04-24

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