General Information of the Compound
| Compound ID |
CP0460086
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| Compound Name |
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
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| Structure |
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| Formula |
C25H31ClN2O2
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| Molecular Weight |
426.988
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| Canonical SMILES |
CC(C)CC(NC(=O)c1ccccc1C)C(=O)N1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H31ClN2O2/c1-17(2)16-23(27-24(29)22-7-5-4-6-18(22)3)25(30)28-14-12-20(13-15-28)19-8-10-21(26)11-9-19/h4-11,17,20,23H,12-16H2,1-3H3,(H,27,29)
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| InChIKey |
SNOXZWTVZITNDR-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