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CHEBI:114356 - 5-hydroxy-1-methyl-4-(4-morpholinylmethyl)-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester

ChEBI IDCHEBI:114356
ChEBI Name5-hydroxy-1-methyl-4-(4-morpholinylmethyl)-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC24H28N2O4S
Net Charge0
Average Mass440.565
Monoisotopic Mass440.17698
SMILESCCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)c(CN3CCOCC3)c12
InChIInChI=1S/C24H28N2O4S/c1-3-30-24(28)23-20(16-31-17-7-5-4-6-8-17)25(2)19-9-10-21(27)18(22(19)23)15-26-11-13-29-14-12-26/h4-10,27H,3,11-16H2,1-2H3
InChIKeyMOYCVQNAQRFXAY-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)
5-hydroxy-1-methyl-4-(4-morpholinylmethyl)-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester (CHEBI:114356) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-25816LINCS