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6Z1

Summary
Name:2-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid
Formula:C17 H13 N3 O5
Formal charge:0
Formula weight:339.302 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.62-[5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H13N3O5/c1-9-6-14(20-25-9)16(22)19-11-2-3-15(21)12(8-11)13-7-10(17(23)24)4-5-18-13/h2-8,21H,1H3,(H,19,22)(H,23,24)
InChIKeyInChI1.03SXVDKQLIPBWXCB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1onc(c1)C(=O)Nc2ccc(O)c(c2)c3cc(ccn3)C(O)=O
SMILESCACTVS3.385Cc1onc(c1)C(=O)Nc2ccc(O)c(c2)c3cc(ccn3)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O
SMILESOpenEye OEToolkits1.7.6Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O

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PDB entries from 2024-11-06

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