General Information of the Compound
| Compound ID |
CP0483670
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| Compound Name |
1-(3-methylbutyl)-2-oxo-4-phenylmethoxypyridine-3-carbonitrile
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| Structure |
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| Formula |
C18H20N2O2
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| Molecular Weight |
296.37
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| Canonical SMILES |
CC(C)CCn1ccc(OCc2ccccc2)c(C#N)c1=O
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| InChI |
InChI=1S/C18H20N2O2/c1-14(2)8-10-20-11-9-17(16(12-19)18(20)21)22-13-15-6-4-3-5-7-15/h3-7,9,11,14H,8,10,13H2,1-2H3
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| InChIKey |
FKKXVXRFCSBXMZ-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