CHEBI:39080 - linkable vandetanib analogue

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ChEBI Name linkable vandetanib analogue ChEBI ID CHEBI:39080 Definition An analogue of vandetanib where the N-methylpiperidin-4-yl group is replaced by 4-aminomethyl. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H20BrFN4O2 Net Charge 0 Average Mass 435.29026 Monoisotopic Mass 434.07537 InChI InChI=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) InChIKey PPTAONFDHQEUMZ-UHFFFAOYSA-N SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCCN ChEBI Ontology Outgoing 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 Last Modified 22 August 2011

General Comment 2007-08-01 Analogue of vandetanib used in protein-binding studies.