General Information of the Compound
| Compound ID |
CP0432449
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| Compound Name |
N-[3-methyl-1-(4-nitrophenyl)-1-oxobutan-2-yl]benzamide
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| Structure |
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| Formula |
C18H18N2O4
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| Molecular Weight |
326.352
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| Canonical SMILES |
CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H18N2O4/c1-12(2)16(19-18(22)14-6-4-3-5-7-14)17(21)13-8-10-15(11-9-13)20(23)24/h3-12,16H,1-2H3,(H,19,22)
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| InChIKey |
VMNVUJVEHZEIDG-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