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CHEBI:109676 - 2-(1-adamantyl)-4-chloro-5-[(4-fluorophenyl)methylamino]-3-pyridazinone

ChEBI IDCHEBI:109676
ChEBI Name2-(1-adamantyl)-4-chloro-5-[(4-fluorophenyl)methylamino]-3-pyridazinone
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DownloadsMolfile
FormulaC21H23ClFN3O
Net Charge0
Average Mass387.886
Monoisotopic Mass387.15137
SMILESO=c1c(Cl)c(NCc2ccc(F)cc2)cnn1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H23ClFN3O/c22-19-18(24-11-13-1-3-17(23)4-2-13)12-25-26(20(19)27)21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,12,14-16,24H,5-11H2
InChIKeyANRSIGUDHUBZOA-UHFFFAOYSA-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)
2-(1-adamantyl)-4-chloro-5-[(4-fluorophenyl)methylamino]-3-pyridazinone (CHEBI:109676) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-21104LINCS