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LU5

Summary
Name:~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide
Formula:C23 H19 N5 O4
Formal charge:0
Formula weight:429.428 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H19N5O4/c1-13-9-18-19(5-3-6-20(18)28-27-13)26-22(30)15-10-16(24-14(2)29)12-17(11-15)25-23(31)21-7-4-8-32-21/h3-12H,1-2H3,(H,24,29)(H,25,31)(H,26,30)
InChIKeyInChI1.03KNUFZYGMIQUYJP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1cc(NC(=O)c2occc2)cc(c1)C(=O)Nc3cccc4nnc(C)cc34
SMILESCACTVS3.385CC(=O)Nc1cc(NC(=O)c2occc2)cc(c1)C(=O)Nc3cccc4nnc(C)cc34
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc2c(cccc2NC(=O)c3cc(cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1
SMILESOpenEye OEToolkits2.0.7Cc1cc2c(cccc2NC(=O)c3cc(cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1

223532

PDB entries from 2024-08-07

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