CHEBI:113027 - 6-[[[(5-bromo-3-phenyl-1H-indol-2-yl)-oxomethyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-[[[(5-bromo-3-phenyl-1H-indol-2-yl)-oxomethyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid
ChEBI ID CHEBI:113027
Stars This entity has been manually annotated by a third party.
Supplier Information eMolecules:1745254, ZINC000000529951
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Formula C25H20BrN3O5
Net Charge 0
Average Mass 522.348
Monoisotopic Mass 521.05863
InChI InChI=1S/C25H20BrN3O5/c1-33-19-11-8-15(21(25(31)32)23(19)34-2)13-27-29-24(30)22-20(14-6-4-3-5-7-14)17-12-16(26)9-10-18(17)28-22/h3-13,28H,1-2H3,(H,29,30)(H,31,32)
InChIKey JJRUBNNGACEDKE-UHFFFAOYSA-N
SMILES COC1=C(C(=C(C=C1)C=NNC(=O)C2=C(C3=C(N2)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O)OC
ChEBI Ontology
Outgoing 6-[[[(5-bromo-3-phenyl-1H-indol-2-yl)-oxomethyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid (CHEBI:113027) is a indolecarboxamide (CHEBI:46921)
Manual Xref Database
LSM-24437 LINCS
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