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CHEBI:107685 - 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone

ChEBI IDCHEBI:107685
ChEBI Name1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone
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FormulaC22H26N4O3S2
Net Charge0
Average Mass458.609
Monoisotopic Mass458.14463
SMILESCOc1ccc(Nc2nnc(SCC(=O)c3cc(C)n(CC4CCCO4)c3C)s2)cc1
InChIInChI=1S/C22H26N4O3S2/c1-14-11-19(15(2)26(14)12-18-5-4-10-29-18)20(27)13-30-22-25-24-21(31-22)23-16-6-8-17(28-3)9-7-16/h6-9,11,18H,4-5,10,12-13H2,1-3H3,(H,23,24)
InChIKeyXGRVTGGGERDOOZ-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)
1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone (CHEBI:107685) is a methoxybenzenes (CHEBI:51683)
1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone (CHEBI:107685) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-19064LINCS