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CHEBI:39072 - CZC8004

ChEBI IDCHEBI:39072
ChEBI NameCZC8004
Stars
Last Modified5 March 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H16FN5
Net Charge0
Average Mass309.348
Monoisotopic Mass309.13897
SMILESNCc1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H16FN5/c18-15-11-20-17(22-14-8-6-12(10-19)7-9-14)23-16(15)21-13-4-2-1-3-5-13/h1-9,11H,10,19H2,(H2,20,21,22,23)
InChIKeyUKOHFWNBTUJMMN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
protein kinase inhibitor  An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
ChEBI Ontology
Outgoing Relation(s)
CZC8004 (CHEBI:39072) has role protein kinase inhibitor (CHEBI:37699)
CZC8004 (CHEBI:39072) is a aminopyrimidine (CHEBI:38338)
CZC8004 (CHEBI:39072) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
N2-[4-(aminomethyl)phenyl]-5-fluoro-N4-phenylpyrimidine-2,4-diamine