General Information of the Compound
| Compound ID |
CP0475287
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| Compound Name |
1-(3-methylbutyl)-2-oxo-4-phenylpyridine-3-carbonitrile
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| Structure |
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| Formula |
C17H18N2O
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| Molecular Weight |
266.344
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| Canonical SMILES |
CC(C)CCn1ccc(-c2ccccc2)c(C#N)c1=O
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| InChI |
InChI=1S/C17H18N2O/c1-13(2)8-10-19-11-9-15(16(12-18)17(19)20)14-6-4-3-5-7-14/h3-7,9,11,13H,8,10H2,1-2H3
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| InChIKey |
JSHCAYXRWHQQOX-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