Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005164
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8v
IUPAC Name(S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3,3-difluoropiperidine-1-carboxamide
FormulaC24H23ClF3N5O3
Mass521.919
Exact Mass521.144151949
Composition C (55.23%), H (4.44%), Cl (6.79%), F (10.92%), N (13.42%), O (9.2%)
Atom Count59
PI8
Smiles[H]N(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C(F)(F)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/C24H23ClF3N5O3/c25-17-8-14(2-3-18(17)26)31-22-16-9-20(32-23(34)33-6-1-5-24(27,28)12-33)21(10-19(1
6)29-13-30-22)36-15-4-7-35-11-15/h2-3,8-10,13,15H,1,4-7,11-12H2,(H,32,34)(H,29,30,31)/t15-/m0/s1
InChIKeyCJVSLXNVNBNKOM-HNNXBMFYSA-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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