General Information of the Compound
| Compound ID |
CP0482185
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| Compound Name |
N-[1-(4-cyanophenyl)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
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| Structure |
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| Formula |
C20H20N2O3
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| Molecular Weight |
336.391
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| Canonical SMILES |
COc1ccc(cc1)C(=O)NC(C(C)C)C(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C20H20N2O3/c1-13(2)18(19(23)15-6-4-14(12-21)5-7-15)22-20(24)16-8-10-17(25-3)11-9-16/h4-11,13,18H,1-3H3,(H,22,24)
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| InChIKey |
MWEJPRYWFKNEQK-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