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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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 (Bronsted 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.