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CHEBI:188625 - OICR-0547

ChEBI IDCHEBI:188625
ChEBI NameOICR-0547
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H29F3N4O4
Net Charge0
Average Mass542.558
Monoisotopic Mass542.21409
SMILESO=C(Nc1cc(-c2cccc(CN3CCOCC3)c2)ccc1N1CCOCC1)c1cnc(=O)cc1C(F)(F)F
InChIInChI=1S/C28H29F3N4O4/c29-28(30,31)23-16-26(36)32-17-22(23)27(37)33-24-15-21(4-5-25(24)35-8-12-39-13-9-35)20-3-1-2-19(14-20)18-34-6-10-38-11-7-34/h1-5,14-17H,6-13,18H2,(H,32,36)(H,33,37)
InChIKeyRFHOOFYUTGZPFH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
OICR-0547 (CHEBI:188625) is a aromatic amide (CHEBI:62733)
IUPAC Name 
N-[2-morpholin-4-yl-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(triluoromethyl)-1H-pyridine-3-carboxamide
Manual XrefsDatabases
35003321ChemSpider