Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004390
Inhibitor ClassPyrazolyl-thiazolinone
Molecule Name in Refrence ArticleE30
IUPAC Name2-[(5S)-5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one
FormulaC20H19N3O2S
Mass365.449
Exact Mass365.1197976
Composition C (65.73%), H (5.24%), N (11.5%), O (8.76%), S (8.77%)
Atom Count45
PI7.75
Smilesc1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)OC)C1=NC(=O)CS1)C
InChI1S/C20H19N3O2S/c1-13-3-5-14(6-4-13)17-11-18(15-7-9-16(25-2)10-8-15)23(22-17)20-21-19(24)12-26-20/h3-
10,18H,11-12H2,1-2H3/t18-/m0/s1
InChIKeyIOFSQNYFJYCKST-SFHVURJKSA-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 28497573
ChEMBL Link -
 
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