EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:93783 - 4-[4-[5-[3-[(cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone

ChEBI IDCHEBI:93783
ChEBI Name4-[4-[5-[3-[(cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
Stars
DownloadsMolfile
FormulaC25H24N4O2
Net Charge0
Average Mass412.493
Monoisotopic Mass412.18993
SMILESO=C1C=CC(=c2ccc(=C3C=C(Nc4cccc(CNC5CC5)c4)NN3)cc2)C(O)=C1
InChIInChI=1S/C25H24N4O2/c30-21-10-11-22(24(31)13-21)17-4-6-18(7-5-17)23-14-25(29-28-23)27-20-3-1-2-16(12-20)15-26-19-8-9-19/h1-7,10-14,19,26-29,31H,8-9,15H2/b22-17-,23-18-
InChIKeyRRSSQACCAPOBIW-JUKYZOBSSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-[4-[5-[3-[(cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone (CHEBI:93783) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-4294LINCS