CHEBI:109204 - N-[4-[cyano-[3-(3-hydroxypropylamino)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[4-[cyano-[3-(3-hydroxypropylamino)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide
ChEBI ID CHEBI:109204
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H21N5O4S
Net Charge 0
Average Mass 439.489
Monoisotopic Mass 439.13143
InChI InChI=1S/C21H21N5O4S/c1-14(28)24-15-7-9-16(10-8-15)31(29,30)19(13-22)20-21(23-11-4-12-27)26-18-6-3-2-5-17(18)25-20/h2-3,5-10,19,27H,4,11-12H2,1H3,(H,23,26)(H,24,28)
InChIKey NNAYASCVTJLOSH-UHFFFAOYSA-N
SMILES CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2NCCCO
ChEBI Ontology
Outgoing N-[4-[cyano-[3-(3-hydroxypropylamino)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide (CHEBI:109204) is a quinoxaline derivative (CHEBI:38771)
Manual Xref Database
LSM-20601 LINCS
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