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CHEBI:232555 - MIND4

ChEBI IDCHEBI:232555
ChEBI NameMIND4
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC24H17N5O3S
Net Charge0
Average Mass455.499
Monoisotopic Mass455.10521
SMILESO=[N+]([O-])c1ccc(Sc2nnc(COc3ccccc3)n2-c2ccccc2)c2ncccc12
InChIInChI=1S/C24H17N5O3S/c30-29(31)20-13-14-21(23-19(20)12-7-15-25-23)33-24-27-26-22(16-32-18-10-5-2-6-11-18)28(24)17-8-3-1-4-9-17/h1-15H,16H2
InChIKeyRVYWJVIYWKCDEE-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 3.5.1.98 (histone deacetylase) inhibitor  An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
ChEBI Ontology
Outgoing Relation(s)
MIND4 (CHEBI:232555) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
MIND4 (CHEBI:232555) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
5-nitro-8-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]quinoline
Citations