General Information of the Compound
| Compound ID |
CP0403170
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| Compound Name |
4-(4-chlorophenyl)-1-(4-methyl-1-thiophen-2-ylsulfonylpiperidin-4-yl)piperidin-4-ol
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| Structure |
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| Formula |
C21H27ClN2O3S2
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| Molecular Weight |
455.045
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| Canonical SMILES |
CC1(CCN(CC1)S(=O)(=O)c1cccs1)N1CCC(O)(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H27ClN2O3S2/c1-20(8-14-24(15-9-20)29(26,27)19-3-2-16-28-19)23-12-10-21(25,11-13-23)17-4-6-18(22)7-5-17/h2-7,16,25H,8-15H2,1H3
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| InChIKey |
UWJUTWPLYJXYLV-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