Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000195
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article14g compound
IUPAC NameN'-[(1E)-[(2R,5S)-5-nitrooxolan-2-yl]methylidene]-2-[(4-{N'-[(1E)-[(2R,5R)-5-nitrooxolan-2-yl]methylidene]hydrazinecarbonyl}phenyl)amino]benzohydrazide
FormulaC24H25N7O8
Mass539.4974
Exact Mass539.1764608
Composition C (53.43%), H (4.67%), N (18.17%), O (23.72%)
Atom Count64
PI5.11
Smilesc1c(c(ccc1)C(=O)N/N=C/[C@@H]1O[C@@H](CC1)N(=O)=O)Nc1ccc(cc1)C(=O)N/N=C/[C@H]1CC[C@@H](O1)N(=O)=O
InChI1S/C24H25N7O8/c32-23(28-25-13-17-9-11-21(38-17)30(34)35)15-5-7-16(8-6-15)27-20-4-2-1-3-19(20)24(33)2
9-26-14-18-10-12-22(39-18)31(36)37/h1-8,13-14,17-18,21-22,27H,9-12H2,(H,28,32)(H,29,33)/b25-13+,26-1
4+/t17-,18-,21-,22+/m1/s1
InChIKeyYUHXFXURYIDYEK-ZXPJYGFPSA-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
Reference20580136
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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