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CHEBI:88333 - dafadine O

ChEBI IDCHEBI:88333
ChEBI Namedafadine O
Stars
DefinitionAn N-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridin-4-yl)piperidine.
Last Modified22 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC22H23N3O4
Net Charge0
Average Mass393.443
Monoisotopic Mass393.16886
SMILESCOc1cccc(OCc2cc(C(=O)N3CCC(c4ccncc4)CC3)no2)c1
InChIInChI=1S/C22H23N3O4/c1-27-18-3-2-4-19(13-18)28-15-20-14-21(24-29-20)22(26)25-11-7-17(8-12-25)16-5-9-23-10-6-16/h2-6,9-10,13-14,17H,7-8,11-12,15H2,1H3
InChIKeyOQGAXKQYQAYFPV-UHFFFAOYSA-N
Roles Classification
Biological Role:
P450 inhibitor  An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances.
ChEBI Ontology
Outgoing Relation(s)
dafadine O (CHEBI:88333) has role P450 inhibitor (CHEBI:50183)
dafadine O (CHEBI:88333) is a N-acylpiperidine (CHEBI:48591)
dafadine O (CHEBI:88333) is a aromatic amide (CHEBI:62733)
dafadine O (CHEBI:88333) is a aromatic ether (CHEBI:35618)
dafadine O (CHEBI:88333) is a isoxazoles (CHEBI:55373)
dafadine O (CHEBI:88333) is a pyridines (CHEBI:26421)
dafadine O (CHEBI:88333) is a ring assembly (CHEBI:36820)
IUPAC Name 
{5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl}[4-(pyridin-4-yl)piperidin-1-yl]methanone
Registry NumbersSources
Reaxys:25668405Reaxys
Citations