Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002387
Inhibitor ClassImidazo-thiazole
Molecule Name in Refrence Article16 compound
IUPAC Name2,6-difluoro-N-{3-[5-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}benzamide
FormulaC32H25F2N7O2S
Mass609.648
Exact Mass609.1758502
Composition C (63.04%), H (4.13%), F (6.23%), N (16.08%), O (5.25%), S (5.26%)
Atom Count69
PI6.39
Smilesc12nc(c(n1ccs2)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1)c1cc(ccc1)NC(=O)c1c(cccc1F)F
InChI1S/C32H25F2N7O2S/c33-24-5-2-6-25(34)27(24)30(42)36-22-4-1-3-20(19-22)28-29(41-15-18-44-32(41)39-28)2
6-11-12-35-31(38-26)37-21-7-9-23(10-8-21)40-13-16-43-17-14-40/h1-12,15,18-19H,13-14,16-17H2,(H,36,42
)(H,35,37,38)
InChIKeyHYNCHUCDOVAZSU-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
Reference20346655
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesIGF1R |
Pub Chem Link 46886314
Drug Bank Link -
ChemSpider Link 24676485
ChEMBL Link CHEMBL1090351
 
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