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CHEBI:79377 - elesclomol-Cu(II)

ChEBI IDCHEBI:79377
ChEBI Nameelesclomol-Cu(II)
Stars
DefinitionThe copper coordination entity formed from elesclomol by coordination to copper via the thiocarbonyl and hydrazino groups.
Last Modified23 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H18CuN4O2S2
Net Charge0
Average Mass462.059
Monoisotopic Mass461.01672
SMILESCN1C(c2ccccc2)=[S+][Cu-2]23[S+]=C(c4ccccc4)N(C)[N]2C(=O)CC(=O)[N]13
InChIInChI=1S/C19H20N4O2S2.Cu/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15;/h3-12H,13H2,1-2H3,(H2,20,21,24,25);/q;+2/p-2
InChIKeyUUSCWIGUMPDFDE-UHFFFAOYSA-L
Roles Classification
Biological Role:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
elesclomol-Cu(II) (CHEBI:79377) has part elesclomol (CHEBI:79369)
elesclomol-Cu(II) (CHEBI:79377) has role antineoplastic agent (CHEBI:35610)
elesclomol-Cu(II) (CHEBI:79377) has role apoptosis inducer (CHEBI:68495)
elesclomol-Cu(II) (CHEBI:79377) is a copper coordination entity (CHEBI:37403)
IUPAC Name 
{N'1,N'3-dimethyl-N'1,N'3-bis[phenyl(thioxo-κS)methyl]malonohydrazido(2−)-κ2N1,N3}copper
Synonyms  Source
elesclomol-CuChEBI
elesclomol-copperChEBI
elesclomol-Cu(2+)ChEBI
Manual XrefsDatabases
WO2013071106Patent
Registry NumbersSources
Reaxys:24095943Reaxys