Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000204
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article20a compound
IUPAC Name2-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N-{4-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl}aniline
FormulaC20H19N5O2S2
Mass425.527
Exact Mass425.0980163
Composition C (56.45%), H (4.5%), N (16.46%), O (7.52%), S (15.07%)
Atom Count48
PI7.72
Smilesc1c(c(ccc1)c1nnc(o1)SCC)Nc1ccc(cc1)c1nnc(o1)SCC
InChI1S/C20H19N5O2S2/c1-3-28-19-24-22-17(26-19)13-9-11-14(12-10-13)21-16-8-6-5-7-15(16)18-23-25-20(27-18)
29-4-2/h5-12,21H,3-4H2,1-2H3
InChIKeyBOYZKDPQHVAROI-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
Reference20580136
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 -
Drug Bank Link -
ChemSpider Link 26352161
ChEMBL Link CHEMBL1241544
 
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