General Information of the Compound
| Compound ID |
CP0547737
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| Compound Name |
N-cyclopropyl-N-[1-(5-fluoro-2-methylsulfonylbenzoyl)piperidin-4-yl]-3-(trifluoromethoxy)benzenesulfonamide
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| Structure |
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| Formula |
C23H24F4N2O6S2
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| Molecular Weight |
564.579
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| Canonical SMILES |
CS(=O)(=O)c1ccc(F)cc1C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(OC(F)(F)F)c1
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| InChI |
InChI=1S/C23H24F4N2O6S2/c1-36(31,32)21-8-5-15(24)13-20(21)22(30)28-11-9-17(10-12-28)29(16-6-7-16)37(33,34)19-4-2-3-18(14-19)35-23(25,26)27/h2-5,8,13-14,16-17H,6-7,9-12H2,1H3
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| InChIKey |
XLSXHTFAIADSPN-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