Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004266
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13g compound
IUPAC NameN-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-6-yl)-1-(prop-2-enoyl)piperidine-4-carboxamide
FormulaC29H27ClN6O3
Mass543.016
Exact Mass542.1833165
Composition C (64.14%), H (5.01%), Cl (6.53%), N (15.48%), O (8.84%)
Atom Count66
PI9.04
Smilesc12cc(ccc1ncnc2Nc1cc(c(cc1)OCc1ncccc1)Cl)NC(=O)C1CCN(CC1)C(=O)C=C
InChI1S/C29H27ClN6O3/c1-2-27(37)36-13-10-19(11-14-36)29(38)35-20-6-8-25-23(15-20)28(33-18-32-25)34-21-7-9
-26(24(30)16-21)39-17-22-5-3-4-12-31-22/h2-9,12,15-16,18-19H,1,10-11,13-14,17H2,(H,35,38)(H,32,33,34
)
InChIKeyDQTZZFAMYSISBF-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
Reference19888761
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 44542373
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