General Information of the Compound
| Compound ID |
CP0546924
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| Compound Name |
N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-nitrobenzenesulfonamide
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| Structure |
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| Formula |
C17H14F6N2O5S
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| Molecular Weight |
472.363
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| Canonical SMILES |
CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H14F6N2O5S/c1-2-24(31(29,30)14-9-7-13(8-10-14)25(27)28)12-5-3-11(4-6-12)15(26,16(18,19)20)17(21,22)23/h3-10,26H,2H2,1H3
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| InChIKey |
HDSUBBVYNOVHHL-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