Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005166
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8x
IUPAC Name(S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-(pyrrolidin-1-yl)piperidine-1-carboxamide
FormulaC28H32ClFN6O3
Mass555.043
Exact Mass554.220844832
Composition C (60.59%), H (5.81%), Cl (6.39%), F (3.42%), N (15.14%), O (8.65%)
Atom Count71
PI10.68
Smiles[H]N(C(=O)N1C([H])([H])C([H])([H])C([H])(N2C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H])C1=C([H])C2=C(N=C([H])N=C2C([H])=C1O[C@]1([H])C([H])([H])OC([H])([H])C1([H])[H])N([H])C1=C([H])C(Cl)=C(F)C([H])=C1[H]
InChI1S/C28H32ClFN6O3/c29-22-13-18(3-4-23(22)30)33-27-21-14-25(26(15-24(21)31-17-32-27)39-20-7-12-38-16-2
0)34-28(37)36-10-5-19(6-11-36)35-8-1-2-9-35/h3-4,13-15,17,19-20H,1-2,5-12,16H2,(H,34,37)(H,31,32,33)
/t20-/m0/s1
InChIKeyLFEGDHBZJSJJHP-FQEVSTJZSA-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
Reference24183742
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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