Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004774
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article14
IUPAC Name(2R)-N-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
FormulaC23H17ClN4O3
Mass432.859
Exact Mass432.0989181
Composition C (63.82%), H (3.96%), Cl (8.19%), N (12.94%), O (11.09%)
Atom Count48
PI6.67
Smilesc1cc(cc(c1)Nc1ncnc2c1cc(cc2)NC(=O)[C@H]1COc2c(O1)cccc2)Cl
InChI1S/C23H17ClN4O3/c24-14-4-3-5-15(10-14)27-22-17-11-16(8-9-18(17)25-13-26-22)28-23(29)21-12-30-19-6-1-
2-7-20(19)31-21/h1-11,13,21H,12H2,(H,28,29)(H,25,26,27)/t21-/m1/s1
InChIKeyQPBVHOJHCCLHIT-OAQYLSRUSA-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
Reference22901387
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 28514078
ChEMBL Link -
 
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