CHEBI:39081 - linkable sunitinib analogue

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name linkable sunitinib analogue
ChEBI ID CHEBI:39081
Definition An analogue of sunitinib in which the 2-(diethylamino)ethyl amide group is replaced by 3-aminopropyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H21FN4O2
Net Charge 0
Average Mass 356.39420
Monoisotopic Mass 356.16485
InChI InChI=1S/C19H21FN4O2/c1-10-16(23-11(2)17(10)19(26)22-7-3-6-21)9-14-13-8-12(20)4-5-15(13)24-18(14)25/h4-5,8-9,23H,3,6-7,21H2,1-2H3,(H,22,26)(H,24,25)/b14-9-
InChIKey ZJVJBYFEMNIAJZ-ZROIWOOFSA-N
SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCCN
ChEBI Ontology
Outgoing linkable sunitinib analogue (CHEBI:39081) has functional parent sunitinib (CHEBI:38940)
linkable sunitinib analogue (CHEBI:39081) is a monocarboxylic acid amide (CHEBI:29347)
linkable sunitinib analogue (CHEBI:39081) is a organofluorine compound (CHEBI:37143)
linkable sunitinib analogue (CHEBI:39081) is a oxindoles (CHEBI:38459)
linkable sunitinib analogue (CHEBI:39081) is a pyrroles (CHEBI:26455)
IUPAC Name
N-(3-aminopropyl)-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Registry Number Type Source
19052097 Reaxys Registry Number Reaxys
Last Modified
22 August 2011
General Comment
2007-08-01 Analogue of sunitinib used in protein-binding studies.