CHEBI:39072 - CZC8004

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ChEBI Name CZC8004
ChEBI ID CHEBI:39072
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H16FN5
Net Charge 0
Average Mass 309.34080
Monoisotopic Mass 309.13897
InChI InChI=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)
InChIKey UKOHFWNBTUJMMN-UHFFFAOYSA-N
SMILES NCc1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): protein kinase inhibitor
An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Last Modified
05 March 2012