Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003981
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article2a compound
IUPAC Name6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-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
PI10.3
Smilesc12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2nc(sc2)C)ccc1
InChI1S/C22H22N4O2S/c1-4-27-20-10-17-18(11-21(20)28-5-2)23-13-24-22(17)26-16-8-6-7-15(9-16)19-12-29-14(3)
25-19/h6-13H,4-5H2,1-3H3,(H,23,24,26)
InChIKeyIMZBSZFOSHTOBQ-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 10136035
Drug Bank Link DB02848
ChemSpider Link 8311548
ChEMBL Link CHEMBL126456
 
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