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CHEBI:116473 - N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide

ChEBI IDCHEBI:116473
ChEBI NameN-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
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FormulaC21H26N4O2S2
Net Charge0
Average Mass430.599
Monoisotopic Mass430.14972
SMILESCCCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(OC)c3)n2)s1
InChIInChI=1S/C21H26N4O2S2/c1-4-5-6-7-11-18(26)25-21-22-14(2)19(29-21)17-13-28-20(24-17)23-15-9-8-10-16(12-15)27-3/h8-10,12-13H,4-7,11H2,1-3H3,(H,23,24)(H,22,25,26)
InChIKeyGZGQOEHHOLCDED-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-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide (CHEBI:116473) is a methoxybenzenes (CHEBI:51683)
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide (CHEBI:116473) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-27927LINCS