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ChEBI
> Main
CHEBI:39085 - linkable pelitinib analogue
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ChEBI Name
linkable pelitinib analogue
ChEBI ID
CHEBI:39085
Definition
An analogue of pelitinib where the 4-(dimethylamino)but-2-enoyl group is replaced by 6-aminohexanoyl.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C24H25ClFN5O2
Net Charge
0
Average Mass
469.93890
Monoisotopic Mass
469.16808
InChI
InChI=1S/C24H25ClFN5O2/c1-
2-
33-
22-
12-
20-
17(11-
21(22)
31-
23(32)
6-
4-
3-
5-
9-
27)
24(15(13-
28)
14-
29-
20)
30-
16-
7-
8-
19(26)
18(25)
10-
16/h7-
8,10-
12,14H,2-
6,9,27H2,1H3,(H,29,30)
(H,31,32)
InChIKey
DJCJFPLICHHEEL-UHFFFAOYSA-N
SMILES
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCCCN
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
linkable pelitinib analogue (
CHEBI:39085
)
has functional parent
pelitinib (
CHEBI:38927
)
linkable pelitinib analogue (
CHEBI:39085
)
is a
aminoquinoline (
CHEBI:36709
)
linkable pelitinib analogue (
CHEBI:39085
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
linkable pelitinib analogue (
CHEBI:39085
)
is a
nitrile (
CHEBI:18379
)
linkable pelitinib analogue (
CHEBI:39085
)
is a
organochlorine compound (
CHEBI:36683
)
linkable pelitinib analogue (
CHEBI:39085
)
is a
organofluorine compound (
CHEBI:37143
)
IUPAC Name
6-amino-
N
-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}hexanamide
Last Modified
22 August 2011
General Comment
2007-08-01
Analogue of pelitinib used in protein-binding studies.