Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003999
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3p compound
IUPAC Name6,7-diethoxy-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]quinazolin-4-amine
FormulaC20H20N6O2
Mass376.4118
Exact Mass376.1647739
Composition C (63.82%), H (5.36%), N (22.33%), O (8.5%)
Atom Count48
PI8.22
Smilesc12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2nc[nH]n2)ccc1
InChI1S/C20H20N6O2/c1-3-27-17-9-15-16(10-18(17)28-4-2)21-11-22-20(15)25-14-7-5-6-13(8-14)19-23-12-24-26-1
9/h5-12H,3-4H2,1-2H3,(H,21,22,25)(H,23,24,26)
InChIKeyWGTILZRWWWHQLO-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 10215809
Drug Bank Link -
ChemSpider Link 8391301
ChEMBL Link CHEMBL127367
 
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