General Information of the Compound
| Compound ID |
CP0168224
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| Compound Name |
5-(benzenesulfonyl)-N-[1-(3-cyanophenyl)sulfonylpiperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H22F3N3O6S3
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| Molecular Weight |
613.661
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)S(=O)(=O)c1cccc(c1)C#N)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H22F3N3O6S3/c26-25(27,28)23-10-9-21(38(32,33)20-6-2-1-3-7-20)16-24(23)39(34,35)30-19-11-13-31(14-12-19)40(36,37)22-8-4-5-18(15-22)17-29/h1-10,15-16,19,30H,11-14H2
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| InChIKey |
XFXVQPUPMFDVMJ-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