Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000518
Inhibitor ClassThiazolidinone
Molecule Name in Refrence Article16 compound
IUPAC Name2-[(E)-2-[(3-chlorophenyl)methylidene]hydrazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one
FormulaC10H8ClN3OS
Mass253.708
Exact Mass253.0076603
Composition C (47.34%), H (3.18%), Cl (13.97%), N (16.56%), O (6.31%), S (12.64%)
Atom Count24
PI6.63
Smilesc1c(cccc1Cl)/C=N/NC1=NC(=O)CS1
InChI1S/C10H8ClN3OS/c11-8-3-1-2-7(4-8)5-12-14-10-13-9(15)6-16-10/h1-5H,6H2,(H,13,14,15)/b12-5+
InChIKeyWIFWLMOAXXFDDO-LFYBBSHMSA-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
Reference19914835
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 24644770
ChEMBL Link CHEMBL592139
 
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