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CHEBI:105051 - 5-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester

ChEBI IDCHEBI:105051
ChEBI Name5-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester
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DownloadsMolfile
FormulaC22H29BrN4O3
Net Charge0
Average Mass477.403
Monoisotopic Mass476.14230
SMILESCOC(=O)c1nc2ccc(Br)cc2c1NC(=O)CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H29BrN4O3/c1-30-22(29)21-20(17-13-15(23)7-8-18(17)24-21)25-19(28)14-26-9-11-27(12-10-26)16-5-3-2-4-6-16/h7-8,13,16,24H,2-6,9-12,14H2,1H3,(H,25,28)
InChIKeyQMKBNQSBQGDFHU-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-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester (CHEBI:105051) is a indolyl carboxylic acid (CHEBI:46867)
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