Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003186
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3h compound
IUPAC NameN-{3-[(6,7-dimethoxyquinazolin-4-yl)methyl]-2-fluorophenyl}benzamide
FormulaC24H20FN3O3
Mass417.4323
Exact Mass417.1488697
Composition C (69.05%), H (4.83%), F (4.55%), N (10.07%), O (11.5%)
Atom Count51
PI6.12
Smilesc12cc(c(cc1ncnc2Cc1c(c(ccc1)NC(=O)c1ccccc1)F)OC)OC
InChI1S/C24H20FN3O3/c1-30-21-12-17-19(26-14-27-20(17)13-22(21)31-2)11-16-9-6-10-18(23(16)25)28-24(29)15-7
-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3,(H,28,29)
InChIKeyUVJSWFXIRLGTCO-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
Reference15454232
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesp38 alpha |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL182397
 
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