Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004835
Inhibitor ClassUnknown
Molecule Name in Refrence Article7
IUPAC Name2-{7-oxo-5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl}-N-[(phenylcarbamothioyl)amino]acetamide
FormulaC20H17N7O2S
Mass419.46
Exact Mass419.1164435
Composition C (57.27%), H (4.09%), N (23.37%), O (7.63%), S (7.64%)
Atom Count47
PI2.54
Smilesc1ccccc1c1cc(=O)n2ncnc2n1CC(=O)NNC(=S)Nc1ccccc1
InChI1S/C20H17N7O2S/c28-17(24-25-19(30)23-15-9-5-2-6-10-15)12-26-16(14-7-3-1-4-8-14)11-18(29)27-20(26)21-
13-22-27/h1-11,13H,12H2,(H,24,28)(H2,23,25,30)
InChIKeyGQXANOCFKITZIK-UHFFFAOYSA-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
Reference22595177
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 7023155
Drug Bank Link -
ChemSpider Link 5386018
ChEMBL Link -
 
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