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SummaryGeometryRelated PDB entries

8CO

Summary
Name:N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide
Formula:C20 H19 Cl N2 O5
Formal charge:0
Formula weight:402.828 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H19ClN2O5/c1-10(2)19(26)22-20-17(11-4-6-12(27-3)7-5-11)18(23-28-20)13-8-14(21)16(25)9-15(13)24/h4-10,24-25H,1-3H3,(H,22,26)
InChIKeyInChI1.03QKMQJLLMNRRTJB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)c2c(NC(=O)C(C)C)onc2c3cc(Cl)c(O)cc3O
SMILESCACTVS3.385COc1ccc(cc1)c2c(NC(=O)C(C)C)onc2c3cc(Cl)c(O)cc3O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC
SMILESOpenEye OEToolkits2.0.6CC(C)C(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC

222415

PDB entries from 2024-07-10

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