General Information of the Compound
| Compound ID |
CP0108526
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| Compound Name |
5-(benzenesulfonyl)-N-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C23H29F3N2O5S2
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| Molecular Weight |
534.622
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| Canonical SMILES |
CC(C)(O)CCN1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H29F3N2O5S2/c1-22(2,29)12-15-28-13-10-17(11-14-28)27-35(32,33)21-16-19(8-9-20(21)23(24,25)26)34(30,31)18-6-4-3-5-7-18/h3-9,16-17,27,29H,10-15H2,1-2H3
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| InChIKey |
JKDDYURFOLUIJB-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