General Information of the Compound
| Compound ID |
CP0074574
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| Compound Name |
5-(benzenesulfonyl)-N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C26H27F3N4O5S2
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| Molecular Weight |
596.653
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| Canonical SMILES |
CN(C)c1ccc(cn1)C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C26H27F3N4O5S2/c1-32(2)24-11-8-18(17-30-24)25(34)33-14-12-19(13-15-33)31-40(37,38)23-16-21(9-10-22(23)26(27,28)29)39(35,36)20-6-4-3-5-7-20/h3-11,16-17,19,31H,12-15H2,1-2H3
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| InChIKey |
XFTABBDNRWFISL-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