General Information of the Compound
| Compound ID |
CP0538467
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| Compound Name |
4-(4-chlorophenyl)-1-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol
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| Structure |
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| Formula |
C23H29ClN2O3S
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| Molecular Weight |
449.016
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| Canonical SMILES |
Cc1ccccc1S(=O)(=O)N1CCC(CC1)N1CCC(O)(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H29ClN2O3S/c1-18-4-2-3-5-22(18)30(28,29)26-14-10-21(11-15-26)25-16-12-23(27,13-17-25)19-6-8-20(24)9-7-19/h2-9,21,27H,10-17H2,1H3
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| InChIKey |
WTSJOVLSWVTJNT-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