Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002329
Inhibitor ClassTriazene
Molecule Name in Refrence Article10 (ZRL5)
IUPAC Name(N'E)-N'-({4-[(3-chlorophenyl)amino]quinazolin-6-yl}imino)-N-methyl-1-4-nitrophenoxyformohydrazide
FormulaC22H16ClN7O4
Mass477.86
Exact Mass477.0952297
Composition C (55.3%), H (3.37%), Cl (7.42%), N (20.52%), O (13.39%)
Atom Count50
PI9.03
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/N(C(=O)Oc1ccc(cc1)[N+](=O)[O-])C
InChI1S/C22H16ClN7O4/c1-29(22(31)34-18-8-6-17(7-9-18)30(32)33)28-27-16-5-10-20-19(12-16)21(25-13-24-20)26
-15-4-2-3-14(23)11-15/h2-13H,1H3,(H,24,25,26)/b28-27+
InChIKeyVELJECLRZJJJQW-BYYHNAKLSA-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 23265636
Drug Bank Link -
ChemSpider Link 24633273
ChEMBL Link CHEMBL570709
 
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