Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005147
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8e
IUPAC Name(S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(2-(diethylamino)ethyl)urea
FormulaC25H30ClFN6O3
Mass516.996
Exact Mass516.205194768
Composition C (58.08%), H (5.85%), Cl (6.86%), F (3.67%), N(16.26%), O (9.28%)
Atom Count66
PI10.41
Smiles[H]N(C(=O)N([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([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/C25H30ClFN6O3/c1-3-33(4-2)9-8-28-25(34)32-22-12-18-21(13-23(22)36-17-7-10-35-14-17)29-15-30-24(18
)31-16-5-6-20(27)19(26)11-16/h5-6,11-13,15,17H,3-4,7-10,14H2,1-2H3,(H2,28,32,34)(H,29,30,31)/t17-/m0
/s1
InChIKeyGSDAGRRLPOIIOT-KRWDZBQOSA-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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