Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002308
Inhibitor ClassThiazolo-pyrimidine
Molecule Name in Refrence Article6l compound
IUPAC Name7-N-(3-chloro-4-fluorophenyl)-2-N-[2-(morpholin-4-yl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine
FormulaC17H18ClFN6OS
Mass408.881
Exact Mass408.0935358
Composition C (49.94%), H (4.44%), Cl (8.67%), F (4.65%), N (20.55%), O (3.91%), S (7.84%)
Atom Count45
PI10
Smilesn1c(sc2c1ncnc2Nc1cc(c(cc1)F)Cl)NCCN1CCOCC1
InChI1S/C17H18ClFN6OS/c18-12-9-11(1-2-13(12)19)23-15-14-16(22-10-21-15)24-17(27-14)20-3-4-25-5-7-26-8-6-2
5/h1-2,9-10H,3-8H2,(H2,20,21,22,23,24)
InChIKeyLQQPCDIBBWIEBS-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
Reference19286381
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 11517095
Drug Bank Link -
ChemSpider Link 9691883
ChEMBL Link CHEMBL511623
 
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