General Information of the Compound
| Compound ID |
CP0548113
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| Compound Name |
3-[2-(6-acetylpyridin-2-yl)ethynyl]-5-fluorobenzonitrile
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| Structure |
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| Formula |
C16H9FN2O
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| Molecular Weight |
264.259
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| Canonical SMILES |
CC(=O)c1cccc(n1)C#Cc1cc(F)cc(c1)C#N
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| InChI |
InChI=1S/C16H9FN2O/c1-11(20)16-4-2-3-15(19-16)6-5-12-7-13(10-18)9-14(17)8-12/h2-4,7-9H,1H3
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| InChIKey |
RCPZMEJYUMYIEJ-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