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CHEBI:104117 - N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine

ChEBI IDCHEBI:104117
ChEBI NameN-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine
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FormulaC19H21BrFN5O2S
Net Charge0
Average Mass482.379
Monoisotopic Mass481.05834
SMILESCOc1cc(CNCCSc2nnnn2C)cc(Br)c1OCc1ccc(F)cc1
InChIInChI=1S/C19H21BrFN5O2S/c1-26-19(23-24-25-26)29-8-7-22-11-14-9-16(20)18(17(10-14)27-2)28-12-13-3-5-15(21)6-4-13/h3-6,9-10,22H,7-8,11-12H2,1-2H3
InChIKeySZWDKYLRWWCXMV-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)
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine (CHEBI:104117) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-15475LINCS