General Information of the Compound
| Compound ID |
CP0471162
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| Compound Name |
4-(4-chlorophenyl)-1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]piperidine-4-carbonitrile
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| Structure |
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| Formula |
C23H25Cl2N3O2S
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| Molecular Weight |
478.445
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1Cl)C#N
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| InChI |
InChI=1S/C23H25Cl2N3O2S/c24-19-7-5-18(6-8-19)23(17-26)11-15-27(16-12-23)20-9-13-28(14-10-20)31(29,30)22-4-2-1-3-21(22)25/h1-8,20H,9-16H2
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| InChIKey |
UNSAORXJNFYGOX-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