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CHEBI:95102 - 4-[4-[5-[4-[(cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone

ChEBI IDCHEBI:95102
ChEBI Name4-[4-[5-[4-[(cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
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FormulaC25H24N4O2
Net Charge0
Average Mass412.493
Monoisotopic Mass412.18993
SMILESO=C1C=CC(=c2ccc(=C3C=C(Nc4ccc(CNC5CC5)cc4)NN3)cc2)C(O)=C1
InChIInChI=1S/C25H24N4O2/c30-21-11-12-22(24(31)13-21)17-3-5-18(6-4-17)23-14-25(29-28-23)27-20-7-1-16(2-8-20)15-26-19-9-10-19/h1-8,11-14,19,26-29,31H,9-10,15H2/b22-17-,23-18-
InChIKeyBYFCMDWKTJJQGR-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-[4-[(cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone (CHEBI:95102) is a aromatic amine (CHEBI:33860)
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