General Information of the Compound
| Compound ID |
CP0372879
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| Compound Name |
3-(4-chlorophenyl)-1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
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| Structure |
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| Formula |
C21H24Cl2N2O3S
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| Molecular Weight |
455.407
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| Canonical SMILES |
OC1(CCN(C1)C1CCN(CC1)S(=O)(=O)c1ccccc1Cl)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H24Cl2N2O3S/c22-17-7-5-16(6-8-17)21(26)11-14-24(15-21)18-9-12-25(13-10-18)29(27,28)20-4-2-1-3-19(20)23/h1-8,18,26H,9-15H2
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| InChIKey |
UKBMMFIGTSZCLE-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