Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004011
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5i compound
IUPAC Name2-(3-chloropropyl)-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
FormulaC25H27ClN4O2S
Mass483.025
Exact Mass482.1543245
Composition C (62.16%), H (5.63%), Cl (7.34%), N (11.6%), O (6.62%), S (6.64%)
Atom Count60
PI10.72
Smilesc12c(nc(nc1cc(c(c2)OCC)OCC)CCCCl)Nc1cc(c2csc(n2)C)ccc1
InChI1S/C25H27ClN4O2S/c1-4-31-22-13-19-20(14-23(22)32-5-2)29-24(10-7-11-26)30-25(19)28-18-9-6-8-17(12-18)
21-15-33-16(3)27-21/h6,8-9,12-15H,4-5,7,10-11H2,1-3H3,(H,28,29,30)
InChIKeyAYOJFONFAZWCIP-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
Reference12190310
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesF16BP |
Pub Chem Link 10152087
Drug Bank Link -
ChemSpider Link 8327595
ChEMBL Link CHEMBL434253
 
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