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CHEBI:107433 - 2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester

ChEBI IDCHEBI:107433
ChEBI Name2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester
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Last Modified13 April 2017
DownloadsMolfile
FormulaC25H27N5O3
Net Charge0
Average Mass445.523
Monoisotopic Mass445.21139
SMILESCOCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H27N5O3/c1-32-15-16-33-25(31)20(17-26)23-24(28-22-10-6-5-9-21(22)27-23)30-13-11-29(12-14-30)18-19-7-3-2-4-8-19/h2-10,20H,11-16,18H2,1H3
InChIKeyFIXHZJOAPUMNOS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester (CHEBI:107433) is a N-arylpiperazine (CHEBI:46848)
2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-methoxyethyl ester (CHEBI:107433) is a 2-methoxyethyl ester (CHEBI:136838)
Manual XrefsDatabases
LSM-18788LINCS