General Information of the Compound
| Compound ID |
CP0315343
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| Compound Name |
1-(3-methylbutyl)-2-oxo-4-(4-phenoxyphenyl)pyridine-3-carbonitrile
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| Structure |
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| Formula |
C23H22N2O2
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| Molecular Weight |
358.441
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| Canonical SMILES |
CC(C)CCn1ccc(-c2ccc(Oc3ccccc3)cc2)c(C#N)c1=O
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| InChI |
InChI=1S/C23H22N2O2/c1-17(2)12-14-25-15-13-21(22(16-24)23(25)26)18-8-10-20(11-9-18)27-19-6-4-3-5-7-19/h3-11,13,15,17H,12,14H2,1-2H3
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| InChIKey |
KEDYAFNTMGPUOS-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