General Information of the Compound
| Compound ID |
CP0489102
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| Compound Name |
3-fluoro-5-[2-(6-methoxypyridin-2-yl)ethynyl]benzonitrile
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| Structure |
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| Formula |
C15H9FN2O
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| Molecular Weight |
252.248
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| Canonical SMILES |
COc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
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| InChI |
InChI=1S/C15H9FN2O/c1-19-15-4-2-3-14(18-15)6-5-11-7-12(10-17)9-13(16)8-11/h2-4,7-9H,1H3
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| InChIKey |
ZWPRHYQYMBGZFI-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