Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001661
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article6 compound
IUPAC Name2-{[4-(morpholin-4-yl)phenyl]methylidene}propanedinitrile
FormulaC14H13N3O
Mass239.2725
Exact Mass239.1058621
Composition C (70.28%), H (5.48%), N (17.56%), O (6.69%)
Atom Count31
PINo isoelectric point.
Smilesc1(ccc(cc1)N1CCOCC1)C=C(C#N)C#N
InChI1S/C14H13N3O/c15-10-13(11-16)9-12-1-3-14(4-2-12)17-5-7-18-8-6-17/h1-4,9H,5-8H2
InChIKeyCHKTYKSOGLZPFK-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
Reference2552117
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 321779
Drug Bank Link -
ChemSpider Link 284857
ChEMBL Link CHEMBL420385
 
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