CHEBI:94304 - 3-[[5-[[5-(4-carboxyphenyl)-2-furanyl]methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid

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ChEBI Name 3-[[5-[[5-(4-carboxyphenyl)-2-furanyl]methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid
ChEBI ID CHEBI:94304
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H14N2O6S
Net Charge 0
Average Mass 434.423
Monoisotopic Mass 434.05726
InChI InChI=1S/C22H14N2O6S/c25-19-18(31-22(24-19)23-15-3-1-2-14(10-15)21(28)29)11-16-8-9-17(30-16)12-4-6-13(7-5-12)20(26)27/h1-11H,(H,26,27)(H,28,29)(H,23,24,25)
InChIKey XVWCAOUMDSZQPB-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)NC2=NC(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)S2)C(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 3-[[5-[[5-(4-carboxyphenyl)-2-furanyl]methylidene]-4-oxo-2-thiazolyl]amino]benzoic acid (CHEBI:94304) is a aminobenzoic acid (CHEBI:22495)
Manual Xref Database
LSM-4939 LINCS
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