General Information of the Compound
| Compound ID |
CP0212064
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| Compound Name |
5-(benzenesulfonyl)-N-[1-(3-hydroxypropyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C21H25F3N2O5S2
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| Molecular Weight |
506.568
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| Canonical SMILES |
OCCCN1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H25F3N2O5S2/c22-21(23,24)19-8-7-18(32(28,29)17-5-2-1-3-6-17)15-20(19)33(30,31)25-16-9-12-26(13-10-16)11-4-14-27/h1-3,5-8,15-16,25,27H,4,9-14H2
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| InChIKey |
BYFVNIXKNHYYLL-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