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CHEBI:39080 - linkable vandetanib analogue

ChEBI IDCHEBI:39080
ChEBI Namelinkable vandetanib analogue
Stars
DefinitionAn analogue of vandetanib where the N-methylpiperidin-4-yl group is replaced by 4-aminomethyl.
Last Modified22 August 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H20BrFN4O2
Net Charge0
Average Mass435.297
Monoisotopic Mass434.07537
SMILESCOc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCCN
InChIInChI=1S/C19H20BrFN4O2/c1-26-17-9-13-16(10-18(17)27-7-3-2-6-22)23-11-24-19(13)25-15-5-4-12(20)8-14(15)21/h4-5,8-11H,2-3,6-7,22H2,1H3,(H,23,24,25)
InChIKeyPPTAONFDHQEUMZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
linkable vandetanib analogue (CHEBI:39080) has functional parent vandetanib (CHEBI:49960)
linkable vandetanib analogue (CHEBI:39080) is a aromatic ether (CHEBI:35618)
linkable vandetanib analogue (CHEBI:39080) is a organobromine compound (CHEBI:37141)
linkable vandetanib analogue (CHEBI:39080) is a organofluorine compound (CHEBI:37143)
linkable vandetanib analogue (CHEBI:39080) is a quinazolines (CHEBI:38530)
IUPAC Name 
7-(4-aminobutoxy)-N-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-4-amine