Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004790
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article12
IUPAC NameN-{4-[(3-chloro-4-fluorophenyl)amino]-7-ethoxyquinazolin-6-yl}-3-(piperidin-1-yl)propanamide
FormulaC24H27ClFN5O2
Mass471.955
Exact Mass471.183731
Composition C (61.08%), H (5.77%), Cl (7.51%), F (4.03%), N (14.84%), O (6.78%)
Atom Count60
PI10.65
Smilesc1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OCC)NC(=O)CCN1CCCCC1
InChI1S/C24H27ClFN5O2/c1-2-33-22-14-20-17(13-21(22)30-23(32)8-11-31-9-4-3-5-10-31)24(28-15-27-20)29-16-6-
7-19(26)18(25)12-16/h6-7,12-15H,2-5,8-11H2,1H3,(H,30,32)(H,27,28,29)
InChIKeyNPJJOUHCDFRVGX-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
Reference22280453
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 28505381
ChEMBL Link -
 
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