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VXM

Summary
Name:4-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:C15 H11 F N2 O3
Formal charge:0
Formula weight:286.258 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[(5-fluoro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
OpenEye OEToolkits2.0.74-[(5-fluoranyl-2-oxidanyl-phenyl)methylamino]isoindole-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(NC(c2c1cccc2NCc3cc(F)ccc3O)=O)=O
InChIInChI1.03InChI=1S/C15H11FN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21)
InChIKeyInChI1.03KOZDXWZBBVAXGG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(F)cc1CNc2cccc3C(=O)NC(=O)c23
SMILESCACTVS3.385Oc1ccc(F)cc1CNc2cccc3C(=O)NC(=O)c23
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O
SMILESOpenEye OEToolkits2.0.7c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O

221051

PDB entries from 2024-06-12

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