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6B3

Summary
Name:2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid
Formula:C27 H18 N2 O4
Formal charge:0
Formula weight:434.443 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid
OpenEye OEToolkits2.0.42-[2-[(6-oxidanylidene-5~{H}-phenanthridin-3-yl)carbamoyl]phenyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c21ccccc1C(Nc3c2ccc(c3)NC(c4ccccc4c5c(cccc5)C(O)=O)=O)=O
InChIInChI1.03InChI=1S/C27H18N2O4/c30-25(21-10-4-1-7-17(21)18-8-3-6-12-23(18)27(32)33)28-16-13-14-20-19-9-2-5-11-22(19)26(31)29-24(20)15-16/h1-15H,(H,28,30)(H,29,31)(H,32,33)
InChIKeyInChI1.03MWPPELUBOBZLKD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccccc1c2ccccc2C(=O)Nc3ccc4c(NC(=O)c5ccccc45)c3
SMILESCACTVS3.385OC(=O)c1ccccc1c2ccccc2C(=O)Nc3ccc4c(NC(=O)c5ccccc45)c3
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccc2c(c1)-c3ccc(cc3NC2=O)NC(=O)c4ccccc4c5ccccc5C(=O)O
SMILESOpenEye OEToolkits2.0.4c1ccc2c(c1)-c3ccc(cc3NC2=O)NC(=O)c4ccccc4c5ccccc5C(=O)O

223166

數據於2024-07-31公開中

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