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CHEBI:61400 - WZ4002

ChEBI IDCHEBI:61400
ChEBI NameWZ4002
Stars
DefinitionA pyrimidine compound having a 2-methoxy-4-(4-methylpiperazin-1-yl)anilino group at the 2-position, a 3-(acryloylamino)phenoxy group at the 4-position, and a chloro substituent at the 5-position.
Last Modified24 February 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H27ClN6O3
Net Charge0
Average Mass494.983
Monoisotopic Mass494.18332
SMILESC=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1
InChIInChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)
InChIKeyITTRLTNMFYIYPA-UHFFFAOYSA-N
Roles Classification
Biological Role:
tyrosine kinase inhibitor  Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
WZ4002 (CHEBI:61400) has role antineoplastic agent (CHEBI:35610)
WZ4002 (CHEBI:61400) has role tyrosine kinase inhibitor (CHEBI:38637)
WZ4002 (CHEBI:61400) is a organochlorine compound (CHEBI:36683)
WZ4002 (CHEBI:61400) is a piperazines (CHEBI:26144)
WZ4002 (CHEBI:61400) is a pyrimidines (CHEBI:39447)
IUPAC Name 
N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Manual XrefsDatabases
LSM-1085LINCS
Citations