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CHEBI:121066 - 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester

ChEBI IDCHEBI:121066
ChEBI Name3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC24H26N4O5
Net Charge0
Average Mass450.495
Monoisotopic Mass450.19032
SMILESCOC(=O)c1nc2ccccc2c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H26N4O5/c1-31-24(30)23-22(17-4-2-3-5-18(17)25-23)26-21(29)14-28-10-8-27(9-11-28)13-16-6-7-19-20(12-16)33-15-32-19/h2-7,12,25H,8-11,13-15H2,1H3,(H,26,29)
InChIKeyCJFDUIYFAFOGGV-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-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester (CHEBI:121066) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-32509LINCS