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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:82666 - DH334(1+)
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ChEBI Ontology
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ChEBI Name
DH334(1+)
ChEBI ID
CHEBI:82666
Definition
An organic cation that is DH334 lacking the bromide couterion.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C28H26ClN2
Net Charge
+1
Average Mass
425.97200
Monoisotopic Mass
425.17790
InChI
InChI=1S/C28H26ClN2/c1-
2-
3-
18-
30-
19-
17-
23-
22-
13-
8-
10-
16-
26(22)
31(20-
21-
11-
5-
4-
6-
12-
21)
28(23)
27(30)
24-
14-
7-
9-
15-
25(24)
29/h4-
17,19H,2-
3,18,20H2,1H3/q+1
InChIKey
OSCGJDFYBBWCSW-UHFFFAOYSA-N
SMILES
CCCC[n+]1ccc2c(c1-c1ccccc1Cl)n(Cc1ccccc1)c1ccccc21
Roles Classification
Biological Role
(s):
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cyclin-dependent kinase (EC 2.7.11.22).
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
DH334(1+) (
CHEBI:82666
)
has role
antineoplastic agent (
CHEBI:35610
)
DH334(1+) (
CHEBI:82666
)
has role
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor (
CHEBI:82665
)
DH334(1+) (
CHEBI:82666
)
is a
organic cation (
CHEBI:25697
)
Incoming
DH334 (
CHEBI:82662
)
has part
DH334(1+) (
CHEBI:82666
)
IUPAC Name
9-benzyl-2-butyl-1-(2-chlorophenyl)-9
H
-β-carbolin-2-ium
Synonym
Source
DH334 cation
ChEBI
Last Modified
08 August 2014