Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000192
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article14d compound
IUPAC NameN'-[(1E)-(4-chlorophenyl)methylidene]-2-[(4-{N'-[(1E)-(4-chlorophenyl)methylidene]hydrazinecarbonyl}phenyl)amino]benzohydrazide
FormulaC28H21Cl2N5O2
Mass530.405
Exact Mass529.1072304
Composition C (63.4%), H (3.99%), Cl (13.37%), N (13.2%), O (6.03%)
Atom Count58
PI6.2
Smilesc1c(c(ccc1)C(=O)N/N=C/c1ccc(cc1)Cl)Nc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)Cl
InChI1S/C28H21Cl2N5O2/c29-22-11-5-19(6-12-22)17-31-34-27(36)21-9-15-24(16-10-21)33-26-4-2-1-3-25(26)28(37
)35-32-18-20-7-13-23(30)14-8-20/h1-18,33H,(H,34,36)(H,35,37)/b31-17+,32-18+
InChIKeyYQZRIJZMLXVYJI-LTTYKRRRSA-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
Reference20580136
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 26349553
ChEMBL Link CHEMBL1242434
 
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