Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004000
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3q compound
IUPAC Name6,7-diethoxy-N-[3-(pyrimidin-5-yl)phenyl]quinazolin-4-amine
FormulaC22H21N5O2
Mass387.4344
Exact Mass387.1695249
Composition C (68.2%), H (5.46%), N (18.08%), O (8.26%)
Atom Count50
PI10.36
Smilesc12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2cncnc2)ccc1
InChI1S/C22H21N5O2/c1-3-28-20-9-18-19(10-21(20)29-4-2)25-14-26-22(18)27-17-7-5-6-15(8-17)16-11-23-13-24-1
2-16/h5-14H,3-4H2,1-2H3,(H,25,26,27)
InChIKeyOCPACVFCWMESLD-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 10309491
Drug Bank Link -
ChemSpider Link 8484957
ChEMBL Link CHEMBL126974
 
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