Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001226
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article1a compound
IUPAC Name2-chloro-N-{4-[(4,5-dichloro-2-fluorophenyl)amino]-7-(2-fluoroethoxy)quinazolin-6-yl}acetamide
FormulaC18H13Cl3F2N4O2
Mass461.677
Exact Mass460.0072152
Composition C (46.83%), H (2.84%), Cl (23.04%), F (8.23%), N (12.14%), O (6.93%)
Atom Count42
PI8.02
Smilesc12c(cc(c(c1)NC(=O)CCl)OCCF)ncnc2Nc1c(cc(c(c1)Cl)Cl)F
InChI1S/C18H13Cl3F2N4O2/c19-7-17(28)26-15-3-9-13(6-16(15)29-2-1-22)24-8-25-18(9)27-14-5-11(21)10(20)4-12(
14)23/h3-6,8H,1-2,7H2,(H,26,28)(H,24,25,27)
InChIKeyRDWJSJLVCCXQLP-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
Reference17574425
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 -
ChEMBL Link -
 
TOP