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CHEBI:93247 - N-[3-[[[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propylamino]-sulfanylidenemethyl]amino]propyl]acetamide

ChEBI IDCHEBI:93247
ChEBI NameN-[3-[[[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propylamino]-sulfanylidenemethyl]amino]propyl]acetamide
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DownloadsMolfile
FormulaC21H27BrClN5OS
Net Charge0
Average Mass512.905
Monoisotopic Mass511.08082
SMILESCC(=O)NCCCNC(=S)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cn1
InChIInChI=1S/C21H27BrClN5OS/c1-16(29)24-10-2-11-25-21(30)26-12-3-13-28(20-9-6-18(22)14-27-20)15-17-4-7-19(23)8-5-17/h4-9,14H,2-3,10-13,15H2,1H3,(H,24,29)(H2,25,26,30)
InChIKeyARPUBVQDXLSATJ-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-[[[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propylamino]-sulfanylidenemethyl]amino]propyl]acetamide (CHEBI:93247) is a aminopyridine (CHEBI:38207)
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