Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003148
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article7 compound
IUPAC Name8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-1,2,3-triazol-4-ylmethyl)amino]quinoline-3-carbonitrile
FormulaC19H12Cl2FN7
Mass428.25
Exact Mass427.051527
Composition C (53.29%), H (2.82%), Cl (16.56%), F (4.44%), N (22.89%)
Atom Count41
PI5.81
SmilesC(Nc1cc(c2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)Cl)c1c[nH]nn1
InChI1S/C19H12Cl2FN7/c20-15-4-11(1-2-17(15)22)27-18-10(6-23)7-25-19-14(18)3-12(5-16(19)21)24-8-13-9-26-29
-28-13/h1-5,7,9,24H,8H2,(H,25,27)(H,26,28,29)
InChIKeyIKMGVUYZBWHRNX-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
Reference19464884
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesTpl2 |
Pub Chem Link 44143345
Drug Bank Link -
ChemSpider Link 24706594
ChEMBL Link CHEMBL496388
 
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