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CHEBI:91185 - ZM 323881

ChEBI IDCHEBI:91185
ChEBI NameZM 323881
Stars
DefinitionA member of the class of quinazolines carrying 2-fluoro-4-methyl-5-hydroxyanilino and benzyloxy substituents at positions 4 and 7 respectively.
Last Modified1 November 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H18FN3O2
Net Charge0
Average Mass375.403
Monoisotopic Mass375.13831
SMILESCc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O
InChIInChI=1S/C22H18FN3O2/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15/h2-11,13,27H,12H2,1H3,(H,24,25,26)
InChIKeyNVBNDZZLJRYRPD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
vascular endothelial growth factor receptor antagonist  An antagonist at the vascular endothelial growth factor receptor.
ChEBI Ontology
Outgoing Relation(s)
ZM 323881 (CHEBI:91185) has role vascular endothelial growth factor receptor antagonist (CHEBI:65207)
ZM 323881 (CHEBI:91185) is a aromatic ether (CHEBI:35618)
ZM 323881 (CHEBI:91185) is a benzyl ether (CHEBI:59859)
ZM 323881 (CHEBI:91185) is a fluorophenol (CHEBI:142486)
ZM 323881 (CHEBI:91185) is a halophenol (CHEBI:38856)
ZM 323881 (CHEBI:91185) is a monofluorobenzenes (CHEBI:83575)
ZM 323881 (CHEBI:91185) is a organic cation (CHEBI:25697)
ZM 323881 (CHEBI:91185) is a quinazolines (CHEBI:38530)
ZM 323881 (CHEBI:91185) is a secondary amino compound (CHEBI:50995)
ZM 323881 (CHEBI:91185) is a substituted aniline (CHEBI:48975)
ZM 323881 (CHEBI:91185) is conjugate base of ZM 323881(1+) (CHEBI:91187)
Incoming Relation(s)
ZM 323881(1+) (CHEBI:91187) is conjugate acid of ZM 323881 (CHEBI:91185)
IUPAC Name 
5-{[7-(benzyloxy)quinazolin-4-yl]amino}-4-fluoro-2-methylphenol
Synonyms  Source
ZM323881ChEBI
ZM-323881ChEBI
Manual XrefsDatabases
LSM-3513LINCS
Registry NumbersSources
Reaxys:13137893Reaxys