Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004618
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article14c
IUPAC NameN-[(2Z)-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]-4-[(2-{[(2Z)-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]carbamoyl}phenyl)amino]benzamide
FormulaC32H25N7O4S2
Mass635.715
Exact Mass635.1409437
Composition C (60.46%), H (3.96%), N (15.42%), O (10.07%), S (10.09%)
Atom Count70
PI6.24
Smilesc1cc(ccc1Nc1c(cccc1)C(=O)NN1C(=O)CS/C/1=Nc1ccccc1)C(=O)NN1/C(=N/c2ccccc2)/SCC1=O
InChI1S/C32H25N7O4S2/c40-27-19-44-31(34-22-9-3-1-4-10-22)38(27)36-29(42)21-15-17-24(18-16-21)33-26-14-8-7
-13-25(26)30(43)37-39-28(41)20-45-32(39)35-23-11-5-2-6-12-23/h1-18,33H,19-20H2,(H,36,42)(H,37,43)/b3
4-31-,35-32-
InChIKeyWDZGXKVABJHQAS-CQIJAVGQSA-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
Reference21881256
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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