Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001733
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13 Compound
IUPAC NameN-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine
FormulaC21H22ClFN4O2
Mass416.876
Exact Mass416.1415319
Composition C (60.5%), H (5.32%), Cl (8.5%), F (4.56%), N (13.44%), O (7.68%)
Atom Count51
PI10.96
Smilesc12c(cc(c(c1)OC1CCN(CC1)C)OC)ncnc2Nc1cccc(c1F)Cl
InChI1S/C21H22ClFN4O2/c1-27-8-6-13(7-9-27)29-19-10-14-17(11-18(19)28-2)24-12-25-21(14)26-16-5-3-4-15(22)2
0(16)23/h3-5,10-13H,6-9H2,1-2H3,(H,24,25,26)
InChIKeyPUGRPTFZBHHZPM-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 10070557
Drug Bank Link -
ChemSpider Link 8246097
ChEMBL Link CHEMBL214798
 
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