General Information of the Compound
| Compound ID |
CP0834116
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| Compound Name |
1-(4-((2-fluoro-3-methylphenyl)amino)-5,6-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(8H)-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C19H17FN4OS
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| Molecular Weight |
368.437
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| Canonical SMILES |
C=CC(=O)N1CCc2c(sc3ncnc(Nc4cccc(C)c4F)c23)C1
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| InChI |
InChI=1S/C19H17FN4OS/c1-3-15(25)24-8-7-12-14(9-24)26-19-16(12)18(21-10-22-19)23-13-6-4-5-11(2)17(13)20/h3-6,10H,1,7-9H2,2H3,(H,21,22,23)
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| InChIKey |
GEJMJYDZLHWEBY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00922, Epidermal growth factor receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000157 | NCI-H1975 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 33800 nM
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