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CHEBI:93983 - 2-[[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid

ChEBI IDCHEBI:93983
ChEBI Name2-[[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid
Stars
DownloadsMolfile
FormulaC15H18F3N3O3S
Net Charge0
Average Mass377.388
Monoisotopic Mass377.10210
SMILESO=C(O)CSCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H18F3N3O3S/c16-15(17,18)11-2-3-12(19-8-11)20-4-1-5-21(7-6-20)13(22)9-25-10-14(23)24/h2-3,8H,1,4-7,9-10H2,(H,23,24)
InChIKeySUQZYBOGKWUFKQ-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-[[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid (CHEBI:93983) is a dialkylarylamine (CHEBI:23665)
2-[[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid (CHEBI:93983) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
LSM-4568LINCS