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CHEBI:103986 - 6-bromo-5-hydroxy-1-methyl-2-[(pyridin-4-ylamino)methyl]-3-indolecarboxylic acid ethyl ester

ChEBI IDCHEBI:103986
ChEBI Name6-bromo-5-hydroxy-1-methyl-2-[(pyridin-4-ylamino)methyl]-3-indolecarboxylic acid ethyl ester
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FormulaC18H18BrN3O3
Net Charge0
Average Mass404.264
Monoisotopic Mass403.05315
SMILESCCOC(=O)c1c(CNc2ccncc2)n(C)c2cc(Br)c(O)cc12
InChIInChI=1S/C18H18BrN3O3/c1-3-25-18(24)17-12-8-16(23)13(19)9-14(12)22(2)15(17)10-21-11-4-6-20-7-5-11/h4-9,23H,3,10H2,1-2H3,(H,20,21)
InChIKeyKWEKHEFJSXTKGY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-bromo-5-hydroxy-1-methyl-2-[(pyridin-4-ylamino)methyl]-3-indolecarboxylic acid ethyl ester (CHEBI:103986) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-15341LINCS