Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004379
Inhibitor ClassPyrazolyl-thiazolinone
Molecule Name in Refrence ArticleE8
IUPAC Name2-[(5S)-3,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one
FormulaC18H13F2N3OS
Mass357.377
Exact Mass357.0747392
Composition C (60.49%), H (3.67%), F (10.63%), N (11.76%), O (4.48%), S (8.97%)
Atom Count38
PI4.05
Smilesc1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)F)C1=NC(=O)CS1)F
InChI1S/C18H13F2N3OS/c19-13-5-1-11(2-6-13)15-9-16(12-3-7-14(20)8-4-12)23(22-15)18-21-17(24)10-25-18/h1-8,
16H,9-10H2/t16-/m0/s1
InChIKeySCKMFGVJIOSCPI-INIZCTEOSA-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
Reference22361272
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 28499046
ChEMBL Link -
 
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