Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000709
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article17 compound
IUPAC NameN-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
FormulaC15H10F3N3
Mass289.2552
Exact Mass289.082682
Composition C (62.28%), H (3.48%), F (19.7%), N (14.53%)
Atom Count31
PI9.82
Smilesc12c(cccc1)ncnc2Nc1cccc(c1)C(F)(F)F
InChI1S/C15H10F3N3/c16-15(17,18)10-4-3-5-11(8-10)21-14-12-6-1-2-7-13(12)19-9-20-14/h1-9H,(H,19,20,21)
InChIKeyVCOMYMMMFREKQC-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference7658435 | 8568816 | 8825124 |
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 651672
Drug Bank Link -
ChemSpider Link 566300
ChEMBL Link CHEMBL92824
 
TOP