CHEBI:188757 - Gandotinib

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Gandotinib
ChEBI ID CHEBI:188757
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H25ClFN7O
Net Charge 0
Average Mass 469.950
Monoisotopic Mass 469.17931
InChI InChI=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)
InChIKey SQSZANZGUXWJEA-UHFFFAOYSA-N
SMILES ClC1=CC(F)=C(CC=2N3N=C(NC4=NNC(=C4)C)C=C(CN5CCOCC5)C3=NC2C)C=C1
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
25027412 ChemSpider
D10365 KEGG DRUG
DB13040 KEGG DRUG
LSM-45265 LINCS
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Registry Number Type Source
1229236-86-5 CAS Registry Number ChemIDplus