Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004057
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13 compound
IUPAC NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-6,7-dimethoxyquinazolin-4-amine
FormulaC17H13F4N3O2
Mass367.2976
Exact Mass367.0943895
Composition C (55.59%), H (3.57%), F (20.69%), N (11.44%), O (8.71%)
Atom Count39
PI9.93
Smilesc1(c(cc2c(c1)c(ncn2)Nc1cc(cc(c1)C(F)(F)F)F)OC)OC
InChI1S/C17H13F4N3O2/c1-25-14-6-12-13(7-15(14)26-2)22-8-23-16(12)24-11-4-9(17(19,20)21)3-10(18)5-11/h3-8H
,1-2H3,(H,22,23,24)
InChIKeyOADSFSCZBUDKTO-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
Reference16279804
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 11538667
Drug Bank Link -
ChemSpider Link 9713447
ChEMBL Link CHEMBL223116
 
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