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SummaryGeometryRelated PDB entries

JX1

Summary
Name:N-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide
Formula:C28 H23 N3 O5
Formal charge:0
Formula weight:481.499 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C28H23N3O5/c1-15-6-11-19(20-5-4-12-29-26(15)20)21-13-22(24(34)14-23(21)33)27-25(28(36-31-27)30-16(2)32)17-7-9-18(35-3)10-8-17/h4-14,33-34H,1-3H3,(H,30,32)
InChIKeyInChI1.03KKYMWBFTVXNUET-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc(c(O)cc3O)c4ccc(C)c5ncccc45
SMILESCACTVS3.385COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc(c(O)cc3O)c4ccc(C)c5ncccc45
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc(c2c1nccc2)c3cc(c(cc3O)O)c4c(c(on4)NC(=O)C)c5ccc(cc5)OC
SMILESOpenEye OEToolkits2.0.6Cc1ccc(c2c1nccc2)c3cc(c(cc3O)O)c4c(c(on4)NC(=O)C)c5ccc(cc5)OC

218853

PDB entries from 2024-04-24

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