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CHEBI:131881 - (E)-SB-590885

ChEBI IDCHEBI:131881
ChEBI Name(E)-SB-590885
Stars
ASCII Name(E)-SB-590885
DefinitionAn N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine in which the oxime group has E configuration.
Last Modified3 May 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC27H27N5O2
Net Charge0
Average Mass453.546
Monoisotopic Mass453.21648
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N\O)n2)cc1
InChIInChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24+
InChIKeyMLSAQOINCGAULQ-QFMPWRQOSA-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)
(E)-SB-590885 (CHEBI:131881) is a N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine (CHEBI:131880)
Incoming Relation(s)
SB-590885 (CHEBI:131882) has part (E)-SB-590885 (CHEBI:131881)
IUPAC Name 
(1E)-N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine
Synonyms  Source
(E)-SB 590885ChEBI
(E)-SB590885ChEBI
Registry NumbersSources
Reaxys:15567360Reaxys