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SummaryGeometryRelated PDB entries

7FV

Summary
Name:[2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone
Formula:C27 H24 N2 O3
Formal charge:0
Formula weight:424.491 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6[2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C27H24N2O3/c1-16-13-18-5-3-4-6-23(18)28-26(16)20-9-12-24-19(14-20)8-7-17(2)29(24)27(32)22-11-10-21(30)15-25(22)31/h3-6,9-15,17,30-31H,7-8H2,1-2H3/t17-/m0/s1
InChIKeyInChI1.03ZPNZQVNPYMEKML-KRWDZBQOSA-N
SMILES_CANONICALCACTVS3.385C[C@H]1CCc2cc(ccc2N1C(=O)c3ccc(O)cc3O)c4nc5ccccc5cc4C
SMILESCACTVS3.385C[CH]1CCc2cc(ccc2N1C(=O)c3ccc(O)cc3O)c4nc5ccccc5cc4C
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc2ccccc2nc1c3ccc4c(c3)CC[C@@H](N4C(=O)c5ccc(cc5O)O)C
SMILESOpenEye OEToolkits2.0.6Cc1cc2ccccc2nc1c3ccc4c(c3)CCC(N4C(=O)c5ccc(cc5O)O)C

222415

数据于2024-07-10公开中

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