Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002943
Inhibitor ClassDianilino-phthalimide
Molecule Name in Refrence Article21 compound
IUPAC Name5,6-bis(phenylsulfanyl)-2,3-dihydro-1H-isoindole-1,3-dione
FormulaC20H13NO2S2
Mass363.453
Exact Mass363.03877
Composition C (66.09%), H (3.61%), N (3.85%), O (8.8%), S (17.64%)
Atom Count38
PINo isoelectric point.
SmilesN1C(=O)c2c(C1=O)cc(c(c2)Sc1ccccc1)Sc1ccccc1
InChI1S/C20H13NO2S2/c22-19-15-11-17(24-13-7-3-1-4-8-13)18(12-16(15)20(23)21-19)25-14-9-5-2-6-10-14/h1-12H
,(H,21,22,23)
InChIKeyHEUOZLPVHVQHOK-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
Reference8151612
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesEGFR | RKC | PKA | ALL
Pub Chem Link 10248155
Drug Bank Link -
ChemSpider Link 8423642
ChEMBL Link CHEMBL8271
 
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