Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001739
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article19 Compound
IUPAC Name2-[4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)piperidin-1-yl]acetamide
FormulaC22H23ClFN5O3
Mass459.901
Exact Mass459.1473455
Composition C (57.45%), H (5.04%), Cl (7.71%), F (4.13%), N (15.23%), O (10.44%)
Atom Count55
PI10.16
Smilesc12c(cc(c(c1)OC1CCN(CC1)CC(=O)N)OC)ncnc2Nc1cccc(c1F)Cl
InChI1S/C22H23ClFN5O3/c1-31-18-10-17-14(9-19(18)32-13-5-7-29(8-6-13)11-20(25)30)22(27-12-26-17)28-16-4-2-
3-15(23)21(16)24/h2-4,9-10,12-13H,5-8,11H2,1H3,(H2,25,30)(H,26,27,28)
InChIKeyDIBGTMXGHUALIU-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
Reference16806916
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 10411907
Drug Bank Link -
ChemSpider Link 8587343
ChEMBL Link CHEMBL218677
 
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