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CHEBI:125491 - 4-bromo-3-(carboxymethoxy)-5-[4-[[oxo(3-pyridinyl)methyl]amino]phenyl]-2-thiophenecarboxylic acid

ChEBI IDCHEBI:125491
ChEBI Name4-bromo-3-(carboxymethoxy)-5-[4-[[oxo(3-pyridinyl)methyl]amino]phenyl]-2-thiophenecarboxylic acid
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FormulaC19H13BrN2O6S
Net Charge0
Average Mass477.292
Monoisotopic Mass475.96777
SMILESO=C(O)COc1c(C(=O)O)sc(-c2ccc(NC(=O)c3cccnc3)cc2)c1Br
InChIInChI=1S/C19H13BrN2O6S/c20-14-15(28-9-13(23)24)17(19(26)27)29-16(14)10-3-5-12(6-4-10)22-18(25)11-2-1-7-21-8-11/h1-8H,9H2,(H,22,25)(H,23,24)(H,26,27)
InChIKeyPTBNMQSAVVUNTG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-bromo-3-(carboxymethoxy)-5-[4-[[oxo(3-pyridinyl)methyl]amino]phenyl]-2-thiophenecarboxylic acid (CHEBI:125491) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-36991LINCS