General Information of the Compound
| Compound ID |
CP0069782
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| Compound Name |
N-[(2,4-dichlorophenyl)methyl]-4-(2-methylsulfonylphenoxy)piperidine-1-carboxamide
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| Structure |
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| Formula |
C20H22Cl2N2O4S
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| Molecular Weight |
457.379
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| Canonical SMILES |
CS(=O)(=O)c1ccccc1OC1CCN(CC1)C(=O)NCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C20H22Cl2N2O4S/c1-29(26,27)19-5-3-2-4-18(19)28-16-8-10-24(11-9-16)20(25)23-13-14-6-7-15(21)12-17(14)22/h2-7,12,16H,8-11,13H2,1H3,(H,23,25)
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| InChIKey |
CCSBSLCFIWORGS-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