Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003990
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3b compound
IUPAC Name6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine
FormulaC22H22N4O2S
Mass406.501
Exact Mass406.1463467
Composition C (65%), H (5.46%), N (13.78%), O (7.87%), S (7.89%)
Atom Count51
PI10.24
Smilesc12cc(c(cc1ncnc2Nc1cc(ccc1)c1scc(n1)C)OCC)OCC
InChI1S/C22H22N4O2S/c1-4-27-19-10-17-18(11-20(19)28-5-2)23-13-24-21(17)26-16-8-6-7-15(9-16)22-25-14(3)12-
29-22/h6-13H,4-5H2,1-3H3,(H,23,24,26)
InChIKeySSEAWJZDUNEHNN-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 10194393
Drug Bank Link -
ChemSpider Link 8369893
ChEMBL Link CHEMBL129592
 
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