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CHEBI:188757 - Gandotinib

Default Structure
ChEBI IDCHEBI:188757
ChEBI NameGandotinib
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25ClFN7O
Net Charge0
Average Mass469.952
Monoisotopic Mass469.17931
SMILESCc1cc(Nc2cc(CN3CCOCC3)c3nc(C)c(Cc4ccc(Cl)cc4F)n3n2)nn1
InChIInChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)
InChIKeySQSZANZGUXWJEA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Gandotinib (CHEBI:188757) is a pyridazines (CHEBI:37921)
IUPAC Name 
3-[(4-chloro-2-luorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
Manual XrefsDatabases
25027412ChemSpider
D10365KEGG DRUG
DB13040DrugBank
LSM-45265LINCS
Registry NumbersSources
CAS:1229236-86-5ChemIDplus