General Information of the Compound
| Compound ID |
CP0432498
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| Compound Name |
4-chloro-N-[1-(4-cyanophenyl)-3-methyl-1-oxobutan-2-yl]benzamide
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| Structure |
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| Formula |
C19H17ClN2O2
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| Molecular Weight |
340.81
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| Canonical SMILES |
CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C19H17ClN2O2/c1-12(2)17(18(23)14-5-3-13(11-21)4-6-14)22-19(24)15-7-9-16(20)10-8-15/h3-10,12,17H,1-2H3,(H,22,24)
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| InChIKey |
QXOZMIUQRZZTIE-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