Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004400
Inhibitor ClassPyrazolyl-thiazolinone
Molecule Name in Refrence ArticleE21
IUPAC Name2-[(5S)-3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one hydrochloride
FormulaC18H14BrCl2N3OS
Mass471.198
Exact Mass468.9418008
Composition C (45.88%), H (2.99%), Br (16.96%), Cl (15.05%), N (8.92%), O (3.4%), S (6.8%)
Atom Count40
PI4.03
Smilesc1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)Cl)C1=NC(=O)CS1)Br.Cl
InChI1S/C18H13BrClN3OS.ClH/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;1H/t16-;/m0./s1
InChIKeyCQIJXKLMPZMZEG-NTISSMGPSA-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
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