General Information of the Compound
| Compound ID |
CP0493721
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| Compound Name |
3-[2-(6-acetylpyridin-2-yl)ethynyl]benzonitrile
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| Structure |
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| Formula |
C16H10N2O
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| Molecular Weight |
246.269
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| Canonical SMILES |
CC(=O)c1cccc(n1)C#Cc1cccc(c1)C#N
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| InChI |
InChI=1S/C16H10N2O/c1-12(19)16-7-3-6-15(18-16)9-8-13-4-2-5-14(10-13)11-17/h2-7,10H,1H3
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| InChIKey |
GSBDMXMGXBSJIW-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