Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004786
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article12
IUPAC Name2-amino-2-[2-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)ethyl]propane-1,3-diol
FormulaC20H22ClFN4O4
Mass436.864
Exact Mass436.1313611
Composition C (54.99%), H (5.08%), Cl (8.12%), F (4.35%), N (12.82%), O (14.65%)
Atom Count52
PI11.79
Smilesc1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OCCC(CO)(N)CO
InChI1S/C20H22ClFN4O4/c1-29-17-8-16-13(7-18(17)30-5-4-20(23,9-27)10-28)19(25-11-24-16)26-12-2-3-15(22)14(
21)6-12/h2-3,6-8,11,27-28H,4-5,9-10,23H2,1H3,(H,24,25,26)
InChIKeyRBFZCADNFNXQRS-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
Reference11459659
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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