Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005061
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article19
IUPAC NameN‐{4‐[(3‐bromophenyl)amino]quinazolin‐6‐yl}‐5‐chloro‐2‐hydroxybenzamide
FormulaC21H14BrClN4O2
Mass469.718
Exact Mass467.998866066
Composition C (53.7%), H (3%), Br (17.01%), Cl (7.55%), N (11.93%), O (6.81%)
Atom Count43
PI5.67
Smiles[H]OC1=C(C([H])=C(Cl)C([H])=C1[H])C(=O)N([H])C1=C([H])C2=C(N=C([H])N=C2N([H])C2=C([H])C(Br)=C([H])C([H])=C2[H])C([H])=C1[H]
InChI1S/C21H14BrClN4O2/c22-12-2-1-3-14(8-12)26-20-16-10-15(5-6-18(16)24-11-25-20)27-21(29)17-9-13(23)4-7-
19(17)28/h1-11,28H,(H,27,29)(H,24,25,26)
InChIKeyIRBCCHHRQBMWBP-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
Reference23936329
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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