General Information of the Compound
| Compound ID |
CP0510644
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| Compound Name |
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-phenoxyphenyl)piperidin-4-ol
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| Structure |
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| Formula |
C28H31ClN2O4S
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| Molecular Weight |
527.086
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| Canonical SMILES |
OC1(CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1Cl)c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C28H31ClN2O4S/c29-26-8-4-5-9-27(26)36(33,34)31-18-14-23(15-19-31)30-20-16-28(32,17-21-30)22-10-12-25(13-11-22)35-24-6-2-1-3-7-24/h1-13,23,32H,14-21H2
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| InChIKey |
XAEHXABFPFOOEW-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