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CHEBI:104193 - [4-[(3-bromophenyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone

ChEBI IDCHEBI:104193
ChEBI Name[4-[(3-bromophenyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone
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DownloadsMolfile
FormulaC17H18BrN3O
Net Charge0
Average Mass360.255
Monoisotopic Mass359.06332
SMILESO=C(c1cccnc1)N1CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C17H18BrN3O/c18-16-5-1-3-14(11-16)13-20-7-9-21(10-8-20)17(22)15-4-2-6-19-12-15/h1-6,11-12H,7-10,13H2
InChIKeyBMBJRLGGSKOAPR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
[4-[(3-bromophenyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone (CHEBI:104193) is a aromatic carboxylic acid (CHEBI:33859)
[4-[(3-bromophenyl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone (CHEBI:104193) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual XrefsDatabases
LSM-15557LINCS