General Information of the Compound
| Compound ID |
CP0436447
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| Compound Name |
4-(3-methoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-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 |
COc1cccc(c1)-c1ccn(CCC(C)C)c(=O)c1C#N
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| InChI |
InChI=1S/C18H20N2O2/c1-13(2)7-9-20-10-8-16(17(12-19)18(20)21)14-5-4-6-15(11-14)22-3/h4-6,8,10-11,13H,7,9H2,1-3H3
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| InChIKey |
CMQYLUOQMIBJQA-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