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CHEBI:39081 - linkable sunitinib analogue

ChEBI IDCHEBI:39081
ChEBI Namelinkable sunitinib analogue
Stars
DefinitionAn analogue of sunitinib in which the 2-(diethylamino)ethyl amide group is replaced by 3-aminopropyl.
Last Modified22 August 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H21FN4O2
Net Charge0
Average Mass356.401
Monoisotopic Mass356.16485
SMILESCc1nc(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCN
InChIInChI=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-
InChIKeyZJVJBYFEMNIAJZ-ZROIWOOFSA-N
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:19052097Reaxys