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CHEBI:105901 - 5-chloro-3-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester

ChEBI IDCHEBI:105901
ChEBI Name5-chloro-3-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester
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DownloadsMolfile
FormulaC19H23ClN4O5
Net Charge0
Average Mass422.869
Monoisotopic Mass422.13570
SMILESCCOC(=O)N1CCN(CC(=O)Nc2c(C(=O)OC)nc3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H23ClN4O5/c1-3-29-19(27)24-8-6-23(7-9-24)11-15(25)22-16-13-10-12(20)4-5-14(13)21-17(16)18(26)28-2/h4-5,10,21H,3,6-9,11H2,1-2H3,(H,22,25)
InChIKeyJAPDWJJDLBPWSC-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-chloro-3-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester (CHEBI:105901) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-17262LINCS