Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004772
Inhibitor ClassUnknown
Molecule Name in Refrence Article14
IUPAC Name4-[(1E)-{2-[(3R)-3-benzylbut-1-en-2-yl]hydrazin-1-ylidene}methyl]-5-phenyl-1H-pyrazole
FormulaC21H22N4
Mass330.4262
Exact Mass330.1844467
Composition C (76.33%), H (6.71%), N (16.96%)
Atom Count47
PI8.06
Smilesc1cccc(c1)c1c(cn[nH]1)/C=N/NC(=C)[C@@H](Cc1ccccc1)C
InChI1S/C21H22N4/c1-16(13-18-9-5-3-6-10-18)17(2)24-22-14-20-15-23-25-21(20)19-11-7-4-8-12-19/h3-12,14-16,
24H,2,13H2,1H3,(H,23,25)/b22-14+/t16-/m1/s1
InChIKeyRCVYWSLFNFGKPE-CAUNFOBBSA-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 -
Drug Bank Link -
ChemSpider Link 28509114
ChEMBL Link -
 
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