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1S9

Summary
Name:[(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid
Formula:C24 H20 N4 O5
Formal charge:0
Formula weight:444.439 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid
OpenEye OEToolkits1.7.62-[4-[(4-benzamidophenyl)amino]-6-methoxy-quinazolin-7-yl]oxyethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1ccccc1)Nc2ccc(cc2)Nc4ncnc3c4cc(OC)c(OCC(=O)O)c3
InChIInChI1.03InChI=1S/C24H20N4O5/c1-32-20-11-18-19(12-21(20)33-13-22(29)30)25-14-26-23(18)27-16-7-9-17(10-8-16)28-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,28,31)(H,29,30)(H,25,26,27)
InChIKeyInChI1.03VAJKCEBFUQHYLC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(O)=O
SMILESCACTVS3.370COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4
SMILESOpenEye OEToolkits1.7.6COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4

222415

數據於2024-07-10公開中

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