General Information of the Compound
| Compound ID |
CP0168223
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| Compound Name |
5-(Phenylsulfonyl)-N-(1-{[3-(2H-tetrazol-5-yl)phenyl]-sulfonyl}piperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H23F3N6O6S3
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| Molecular Weight |
656.69
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1nnn[nH]1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H23F3N6O6S3/c26-25(27,28)22-10-9-20(41(35,36)19-6-2-1-3-7-19)16-23(22)42(37,38)31-18-11-13-34(14-12-18)43(39,40)21-8-4-5-17(15-21)24-29-32-33-30-24/h1-10,15-16,18,31H,11-14H2,(H,29,30,32,33)
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| InChIKey |
UXNPRYKJQXSNLA-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