Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004264
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13e compound
IUPAC Name(2S)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-6-yl)-1-(prop-2-enoyl)piperidine-2-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
PI8.71
Smilesc12cc(ccc1ncnc2Nc1cc(c(cc1)OCc1ncccc1)Cl)NC(=O)[C@@H]1CCCCN1C(=O)C=C
InChI1S/C29H27ClN6O3/c1-2-27(37)36-14-6-4-8-25(36)29(38)35-19-9-11-24-22(15-19)28(33-18-32-24)34-20-10-12
-26(23(30)16-20)39-17-21-7-3-5-13-31-21/h2-3,5,7,9-13,15-16,18,25H,1,4,6,8,14,17H2,(H,35,38)(H,32,33
,34)/t25-/m0/s1
InChIKeyHFPJPGVFVQSSKJ-VWLOTQADSA-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
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Reported activity against other enzymesNo activity data against other kinases present in database
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