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CHEBI:112229 - 4-chloro-3-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester

ChEBI IDCHEBI:112229
ChEBI Name4-chloro-3-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester
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FormulaC18H23ClN4O4
Net Charge0
Average Mass394.859
Monoisotopic Mass394.14078
SMILESCOC(=O)c1nc2cccc(Cl)c2c1NC(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C18H23ClN4O4/c1-27-18(26)17-16(15-12(19)3-2-4-13(15)20-17)21-14(25)11-23-7-5-22(6-8-23)9-10-24/h2-4,20,24H,5-11H2,1H3,(H,21,25)
InChIKeyUVBVXUHABUKTAY-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)
4-chloro-3-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester (CHEBI:112229) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-23641LINCS