Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydroxypropylamino)-2-(pyridin-3-yl)pyrimidin-4-yl)-1H-pyrazol-1-yl)acetonitrile
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 PubChem ID
CID: 44517769
SID: 85853001
Canonical SMILES
C[C@H](O)CNc1cc(nc(n1)-c1cccnc1)-c1cn(CC#N)nc1-c1cc(C)cc(O)c1
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Compound Formula C24H23N7O2
Compound Structure
Protein Name
 Protein Info 
Proto-oncogene tyrosine-protein kinase ROS
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase Sev family
Uniprot ID
P08922
Gene Name
ROS1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000310 HCC78
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 775 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.7 nM
2 IC50 = 199 nM