General Information of the Compound
| Compound ID |
CP0512169
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| Compound Name |
3-fluoro-5-[2-[6-(hydroxymethyl)pyridin-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 |
OCc1cccc(n1)C#Cc1cc(F)cc(c1)C#N
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| InChI |
InChI=1S/C15H9FN2O/c16-13-7-11(6-12(8-13)9-17)4-5-14-2-1-3-15(10-19)18-14/h1-3,6-8,19H,10H2
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| InChIKey |
HLZCPHUETPPBIE-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