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ChEBI
> Main
CHEBI:79377 - elesclomol-Cu(
II
)
Main
ChEBI Ontology
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ChEBI Name
elesclomol-Cu(
II
)
ChEBI ID
CHEBI:79377
ChEBI ASCII Name
elesclomol-Cu(II)
Definition
The copper coordination entity formed from elesclomol by coordination to copper via the thiocarbonyl and hydrazino groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C19H18CuN4O2S2
Net Charge
0
Average Mass
462.04800
Monoisotopic Mass
461.01672
InChI
InChI=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
InChIKey
UUSCWIGUMPDFDE-UHFFFAOYSA-L
SMILES
CN1N2C(=O)CC(=O)N3N(C)C(=[S+][Cu--]23[S+]=C1c1ccccc1)c1ccccc1
Roles Classification
Biological Role
(s):
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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-
κ
S
)methyl]malonohydrazido(2−)-
κ
2
N
1
,
N
3
}copper
Synonyms
Sources
elesclomol-copper
ChEBI
elesclomol-Cu
ChEBI
elesclomol-Cu(2+)
ChEBI
Manual Xref
Database
WO2013071106
Patent
View more database links
Registry Number
Type
Source
24095943
Reaxys Registry Number
Reaxys
Last Modified
23 July 2014