EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:39112 - bosutinib

ChEBI IDCHEBI:39112
ChEBI Namebosutinib
Stars
DefinitionAn aminoquinoline that is 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline bearing additional cyano and methoxy substituents at positions 3 and 6 respectively.
Last Modified22 February 2017
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC26H29Cl2N5O3
Net Charge0
Average Mass530.456
Monoisotopic Mass529.16475
SMILESCOc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl
InChIInChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
InChIKeyUBPYILGKFZZVDX-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Synonyms  Source
BosutinibKEGG DRUG
SKI-606ChemIDplus
SKI 606ChemIDplus
4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrileChemIDplus
Manual XrefsDatabases
D03252KEGG DRUG
DB8PDBeChem
BosutinibWikipedia
LSM-1190LINCS
4359DrugCentral
Registry NumbersSources
Reaxys:9100307Reaxys
CAS:380843-75-4ChemIDplus
Citations