Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003992
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3d compound
IUPAC Name6,7-diethoxy-N-[3-(1,3-thiazol-5-yl)phenyl]quinazolin-4-amine
FormulaC21H20N4O2S
Mass392.474
Exact Mass392.1306966
Composition C (64.27%), H (5.14%), N (14.28%), O (8.15%), S (8.17%)
Atom Count48
PI10.32
Smilesc12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2scnc2)ccc1
InChI1S/C21H20N4O2S/c1-3-26-18-9-16-17(10-19(18)27-4-2)23-12-24-21(16)25-15-7-5-6-14(8-15)20-11-22-13-28-
20/h5-13H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyNEVHAZBPBSUENX-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
Reference12190310
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesF16BP |
Pub Chem Link 10309561
Drug Bank Link -
ChemSpider Link 8485027
ChEMBL Link CHEMBL340862
 
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