General Information of the Compound
| Compound ID |
CP0422643
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| Compound Name |
1-[1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
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| Structure |
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| Formula |
C22H24BrClF2N2O3S
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| Molecular Weight |
549.865
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| Canonical SMILES |
OC1(CCN(CC1)C1CCN(CC1)S(=O)(=O)c1c(F)cc(F)cc1Br)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H24BrClF2N2O3S/c23-19-13-17(25)14-20(26)21(19)32(30,31)28-9-5-18(6-10-28)27-11-7-22(29,8-12-27)15-1-3-16(24)4-2-15/h1-4,13-14,18,29H,5-12H2
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| InChIKey |
WXRNCZLBVFFDCH-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