Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004630
Inhibitor ClassDiphenyl-amine
Molecule Name in Refrence Article12a
IUPAC Name4-(4-chlorophenyl)-1-({2-[(4-{[4-(4-chlorophenyl)-3,5,6-trioxo-1,2,4-triazinan-1-yl]carbonyl}phenyl)amino]phenyl}carbonyl)-1,2,4-triazinane-3,5,6-trione
FormulaC32H19Cl2N7O8
Mass700.441
Exact Mass699.067216
Composition C (54.87%), H (2.73%), Cl (10.12%), N (14%), O (18.27%)
Atom Count68
PI4.2
Smilesc1(c(cccc1)Nc1ccc(cc1)C(=O)n1c(=O)c(=O)n(c(=O)[nH]1)c1ccc(cc1)Cl)C(=O)n1[nH]c(=O)n(c(=O)c1=O)c1ccc(cc1)Cl
InChI1S/C32H19Cl2N7O8/c33-18-7-13-21(14-8-18)38-27(44)29(46)40(36-31(38)48)25(42)17-5-11-20(12-6-17)35-24
-4-2-1-3-23(24)26(43)41-30(47)28(45)39(32(49)37-41)22-15-9-19(34)10-16-22/h1-16,35H,(H,36,48)(H,37,4
9)
InChIKeyFCBXNSQXMNLYQV-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
Reference21881256
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 53497024
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ChemSpider Link -
ChEMBL Link -
 
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