General Information of the Compound
| Compound ID |
CP0497357
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| Compound Name |
N-cyclohexyl-6-(2-phenylethynyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C20H20N2O
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| Molecular Weight |
304.393
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| Canonical SMILES |
O=C(NC1CCCCC1)c1ccc(nc1)C#Cc1ccccc1
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| InChI |
InChI=1S/C20H20N2O/c23-20(22-19-9-5-2-6-10-19)17-12-14-18(21-15-17)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,12,14-15,19H,2,5-6,9-10H2,(H,22,23)
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| InChIKey |
UVQBVTGQRSXVAW-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