EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:109727 - 3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester

ChEBI IDCHEBI:109727
ChEBI Name3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC22H24N4O5
Net Charge0
Average Mass424.457
Monoisotopic Mass424.17467
SMILESCOC(=O)c1nc2cc(C)ccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H24N4O5/c1-14-5-6-15-16(12-14)23-20(22(29)30-2)19(15)24-18(27)13-25-7-9-26(10-8-25)21(28)17-4-3-11-31-17/h3-6,11-12,23H,7-10,13H2,1-2H3,(H,24,27)
InChIKeyTVUZUPRVECIGSD-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-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester (CHEBI:109727) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-21155LINCS