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IQA

Summary
Name:(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-7-YL)-ACETIC ACID
Formula:C17 H12 N2 O3
Formal charge:0
Formula weight:292.289 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(5-oxo-5,6-dihydroindolo[1,2-a]quinazolin-7-yl)acetic acid
OpenEye OEToolkits1.5.02-(5-oxo-6H-indolo[1,2-a]quinazolin-7-yl)ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)Cc3c2NC(=O)c1c(cccc1)n2c4ccccc34
SMILES_CANONICALCACTVS3.341OC(=O)Cc1c2NC(=O)c3ccccc3n2c4ccccc14
SMILESCACTVS3.341OC(=O)Cc1c2NC(=O)c3ccccc3n2c4ccccc14
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O
InChIInChI1.03InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)
InChIKeyInChI1.03INSBKYCYLCEBOD-UHFFFAOYSA-N

222624

數據於2024-07-17公開中

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