Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004162
Inhibitor ClassUnknown
Molecule Name in Refrence ArticleSEW05754
IUPAC Name(3E)-3-{[2-(4-methylpiperazin-1-yl)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
FormulaC20H21N3O
Mass319.4002
Exact Mass319.1684623
Composition C (75.21%), H (6.63%), N (13.16%), O (5.01%)
Atom Count45
PI9.55
Smilesc1(c(cccc1)N1CCN(CC1)C)/C=C/1c2c(NC1=O)cccc2
InChI1S/C20H21N3O/c1-22-10-12-23(13-11-22)19-9-5-2-6-15(19)14-17-16-7-3-4-8-18(16)21-20(17)24/h2-9,14H,10
-13H2,1H3,(H,21,24)/b17-14+
InChIKeyGVZDDZHOCZYDBT-SAPNQHFASA-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
Reference19170633
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 5703613
Drug Bank Link -
ChemSpider Link 5300753
ChEMBL Link CHEMBL460742
 
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