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

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ChEBI Name 6-bromo-5-hydroxy-1-methyl-2-[(pyridin-4-ylamino)methyl]-3-indolecarboxylic acid ethyl ester
ChEBI ID CHEBI:103986
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H18BrN3O3
Net Charge 0
Average Mass 404.258
Monoisotopic Mass 403.05315
InChI InChI=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)
InChIKey KWEKHEFJSXTKGY-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CNC3=CC=NC=C3
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-15341 LINCS
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