General Information of the Compound
| Compound ID |
CP0372878
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| Compound Name |
1-[1-(benzenesulfonyl)piperidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
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| Structure |
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| Formula |
C22H27ClN2O3S
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| Molecular Weight |
434.989
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| Canonical SMILES |
OC1(CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H27ClN2O3S/c23-19-8-6-18(7-9-19)22(26)12-16-24(17-13-22)20-10-14-25(15-11-20)29(27,28)21-4-2-1-3-5-21/h1-9,20,26H,10-17H2
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| InChIKey |
PAEFPWFDUZFIDX-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