CHEBI:108039 - 1-[3-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[3-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester
ChEBI ID CHEBI:108039
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H27N5O3
Net Charge 0
Average Mass 457.525
Monoisotopic Mass 457.21139
InChI InChI=1S/C26H27N5O3/c1-2-34-26(33)19-11-8-14-31(17-19)24-23(29-21-12-6-7-13-22(21)30-24)20(15-27)25(32)28-16-18-9-4-3-5-10-18/h3-7,9-10,12-13,19-20H,2,8,11,14,16-17H2,1H3,(H,28,32)
InChIKey IUMXMQSPIMHHAM-UHFFFAOYSA-N
SMILES CCOC(=O)C1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC4=CC=CC=C4
ChEBI Ontology
Outgoing 1-[3-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester (CHEBI:108039) is a quinoxaline derivative (CHEBI:38771)
Manual Xref Database
LSM-19416 LINCS
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