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CHEBI:116758 - 2-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-(4-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

ChEBI IDCHEBI:116758
ChEBI Name2-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-(4-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
Stars
DownloadsMolfile
FormulaC25H27FN4O
Net Charge0
Average Mass418.516
Monoisotopic Mass418.21689
SMILESCCn1cc(CN2CCc3c(nc4ccccc34)C2c2ccc(F)c(OC)c2)c(C)n1
InChIInChI=1S/C25H27FN4O/c1-4-30-15-18(16(2)28-30)14-29-12-11-20-19-7-5-6-8-22(19)27-24(20)25(29)17-9-10-21(26)23(13-17)31-3/h5-10,13,15,25,27H,4,11-12,14H2,1-3H3
InChIKeyDPXMBHSCQSNZNF-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-(4-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (CHEBI:116758) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-28210LINCS