Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003991
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3c compound
IUPAC Name2-{3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl}-1,3-thiazole-4-carboxamide
FormulaC22H21N5O3S
Mass435.499
Exact Mass435.1365103
Composition C (60.67%), H (4.86%), N (16.08%), O (11.02%), S (7.36%)
Atom Count52
PI9.47
Smilesc12cc(c(cc1ncnc2Nc1cc(ccc1)c1scc(n1)C(=O)N)OCC)OCC
InChI1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)22-27-17(11-31-
22)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26)
InChIKeyWASADBIDTLVECC-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 10288090
Drug Bank Link -
ChemSpider Link 8463559
ChEMBL Link CHEMBL126668
 
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