Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3R,4R)-5,5-difluoro-4-methoxy-1-[4-[[8-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]piperidin-3-ol
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 PubChem ID
CID: 156538291
Canonical SMILES
CO[C@@H]1[C@H](O)CN(CC1(F)F)c1nccc(Nc2cc3c(ccc(N4C[C@H](CS(C)(=O)=O)[C@H]4C)c3cn2)C(C)C)n1
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Compound Formula C28H36F2N6O4S
Compound Structure
Protein Name
 Protein Info 
Epidermal growth factor receptor
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase EGFR family
Uniprot ID
P00533
Gene Name
EGFR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 191 nM
   TI
   LI
   LO
   TS
CL000157 NCI-H1975
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2.6 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 0.7 nM
   TI
   LI
   LO
   TS
2
IC50 = 810 nM
   TI
   LI
   LO
   TS