Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003162
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article2 compound
IUPAC NameN-{3-[(2-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}cyclopropanecarboxamide
FormulaC21H18F3N5O
Mass413.3957
Exact Mass413.1463448
Composition C (61.01%), H (4.39%), F (13.79%), N (16.94%), O (3.87%)
Atom Count48
PI9.06
Smilesn1c(Nc2cc(C(F)(F)F)ccc2)nccc1Nc1cc(NC(=O)C2CC2)ccc1
InChI1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)28-20-25-10-9-18(29-20)26-16-5-2-6-17(12-16)27-19(30)1
3-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)
InChIKeyZJYUMCJZQBEWOW-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
Reference17157005
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesAIKA |
Pub Chem Link 11589674
Drug Bank Link -
ChemSpider Link 9764437
ChEMBL Link CHEMBL216260
 
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