Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000725
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article22 compound
IUPAC Name4-N-[3-(trifluoromethyl)phenyl]quinazoline-4,7-diamine
FormulaC15H11F3N4
Mass304.2698
Exact Mass304.093581
Composition C (59.21%), H (3.64%), F (18.73%), N (18.41%)
Atom Count33
PI10.95
Smilesc12c(cc(cc1)N)ncnc2Nc1cccc(c1)C(F)(F)F
InChI1S/C15H11F3N4/c16-15(17,18)9-2-1-3-11(6-9)22-14-12-5-4-10(19)7-13(12)20-8-21-14/h1-8H,19H2,(H,20,21,
22)
InChIKeyBUWHCUHUJIETCP-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
Reference8568816
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328195
Drug Bank Link -
ChemSpider Link 4485360
ChEMBL Link CHEMBL433205
 
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