Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002327
Inhibitor ClassTriazene
Molecule Name in Refrence Article8 (ZRS1)
IUPAC Name{[(E)-N'-({4-[(3-chlorophenyl)amino]quinazolin-6-yl}imino)-N-methylhydrazinecarbonyl]oxy}methyl acetate
FormulaC19H17ClN6O4
Mass428.829
Exact Mass428.0999808
Composition C (53.22%), H (4%), Cl (8.27%), N (19.6%), O (14.92%)
Atom Count47
PI9.03
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/N(C(=O)OCOC(=O)C)C
InChI1S/C19H17ClN6O4/c1-12(27)29-11-30-19(28)26(2)25-24-15-6-7-17-16(9-15)18(22-10-21-17)23-14-5-3-4-13(2
0)8-14/h3-10H,11H2,1-2H3,(H,21,22,23)/b25-24+
InChIKeyRSOLNUPXBUNNJM-OCOZRVBESA-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
Reference19665377
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24634032
ChEMBL Link CHEMBL572028
 
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