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CHEBI:177416 - Pexacerfont

ChEBI IDCHEBI:177416
ChEBI NamePexacerfont
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24N6O
Net Charge0
Average Mass340.431
Monoisotopic Mass340.20116
SMILESCC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12
InChIInChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1
InChIKeyLBWQSAZEYIZZCE-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Pexacerfont (CHEBI:177416) is a pyrazolopyridine (CHEBI:46699)
IUPAC Name 
N-[(2R)-butan-2-yl]-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
Manual XrefsDatabases
D10022KEGG DRUG
8060040ChemSpider
DB12572DrugBank
Registry NumbersSources
CAS:459856-18-9ChemIDplus