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CHEBI:109690 - 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]-1-oxoethyl]amino]-5-chloro-1H-indole-2-carboxylic acid methyl ester

ChEBI IDCHEBI:109690
ChEBI Name3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]-1-oxoethyl]amino]-5-chloro-1H-indole-2-carboxylic acid methyl ester
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DownloadsMolfile
FormulaC21H20ClN3O5
Net Charge0
Average Mass429.860
Monoisotopic Mass429.10915
SMILESCCN(CC(=O)Nc1c(C(=O)OC)nc2ccc(Cl)cc12)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H20ClN3O5/c1-3-25(13-5-7-16-17(9-13)30-11-29-16)10-18(26)24-19-14-8-12(22)4-6-15(14)23-20(19)21(27)28-2/h4-9,23H,3,10-11H2,1-2H3,(H,24,26)
InChIKeyJBAHTOFBDDWQRM-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)
3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]-1-oxoethyl]amino]-5-chloro-1H-indole-2-carboxylic acid methyl ester (CHEBI:109690) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-21118LINCS