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CHEBI:90537 - ICPD-26

ChEBI IDCHEBI:90537
ChEBI NameICPD-26
Stars
DefinitionA member of the class of thiadiazoles that is 1,2,3-thiadiazole substituted at positions 4 and 5 by 2,4-dihydroxy-4-chlorophenyl and 4-methoxyphenyl groups respectively.
Last Modified8 July 2016
Submittermziehm
DownloadsMolfile
FormulaC15H11ClN2O3S
Net Charge0
Average Mass334.784
Monoisotopic Mass334.01789
SMILESCOc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1
InChIInChI=1S/C15H11ClN2O3S/c1-21-9-4-2-8(3-5-9)15-14(17-18-22-15)10-6-11(16)13(20)7-12(10)19/h2-7,19-20H,1H3
InChIKeyFHKZHOZHULTQJI-UHFFFAOYSA-N
Roles Classification
Biological Role:
Hsp90 inhibitor  An EC 3.6.4.10 (non-chaperonin molecular chaperone ATPase) inhibitor that blocks the action of heat shock protein 90.
ChEBI Ontology
Outgoing Relation(s)
ICPD-26 (CHEBI:90537) has role Hsp90 inhibitor (CHEBI:63962)
ICPD-26 (CHEBI:90537) is a monochlorobenzenes (CHEBI:83403)
ICPD-26 (CHEBI:90537) is a monomethoxybenzene (CHEBI:25235)
ICPD-26 (CHEBI:90537) is a resorcinols (CHEBI:33572)
ICPD-26 (CHEBI:90537) is a thiadiazoles (CHEBI:38099)
IUPAC Name 
4-chloro-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
Synonyms  Source
ICPD26ChEBI
ICPD 26ChEBI
Manual XrefsDatabases
YI0PDBeChem
Registry NumbersSources
Reaxys:19357822Reaxys
Citations