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CHEBI:78344 - Src Inhibitor-5

ChEBI IDCHEBI:78344
ChEBI NameSrc Inhibitor-5
Stars
DefinitionA member of the class of quinazolines that is quinazoline which is substituted at position 4 by a 2-chloro-5-methoxyanilino group, at position 6 by a methoxy group and at position 7 by a 3-(morpholin-4-yl)propoxy group.
Last Modified23 October 2014
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC23H27ClN4O4
Net Charge0
Average Mass458.946
Monoisotopic Mass458.17208
SMILESCOc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)c1
InChIInChI=1S/C23H27ClN4O4/c1-29-16-4-5-18(24)20(12-16)27-23-17-13-21(30-2)22(14-19(17)25-15-26-23)32-9-3-6-28-7-10-31-11-8-28/h4-5,12-15H,3,6-11H2,1-2H3,(H,25,26,27)
InChIKeyCVOJFSBJHSHLQV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
ChEBI Ontology
Outgoing Relation(s)
Src Inhibitor-5 (CHEBI:78344) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
Src Inhibitor-5 (CHEBI:78344) is a aromatic ether (CHEBI:35618)
Src Inhibitor-5 (CHEBI:78344) is a monochlorobenzenes (CHEBI:83403)
Src Inhibitor-5 (CHEBI:78344) is a morpholines (CHEBI:38785)
Src Inhibitor-5 (CHEBI:78344) is a polyether (CHEBI:46774)
Src Inhibitor-5 (CHEBI:78344) is a quinazolines (CHEBI:38530)
Src Inhibitor-5 (CHEBI:78344) is a secondary amino compound (CHEBI:50995)
Src Inhibitor-5 (CHEBI:78344) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine
Synonym  Source
4-[(2-chloro-5-methoxyphenyl)amino]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolineChEBI
Registry NumbersSources
Reaxys:9667079Reaxys