Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003192
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3n compound
IUPAC NameN-{2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)methyl]phenyl}-3-(morpholin-4-yl)benzamide
FormulaC28H27ClN4O4
Mass518.991
Exact Mass518.1720831
Composition C (64.8%), H (5.24%), Cl (6.83%), N (10.8%), O (12.33%)
Atom Count64
PI6.85
Smilesc12cc(c(cc1ncnc2Cc1cc(c(cc1)Cl)NC(=O)c1cc(ccc1)N1CCOCC1)OC)OC
InChI1S/C28H27ClN4O4/c1-35-26-15-21-23(30-17-31-24(21)16-27(26)36-2)12-18-6-7-22(29)25(13-18)32-28(34)19-
4-3-5-20(14-19)33-8-10-37-11-9-33/h3-7,13-17H,8-12H2,1-2H3,(H,32,34)
InChIKeySBGYBIPNPFVINT-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
Reference15454232
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesp38 alpha |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL184052
 
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