General Information of the Compound
| Compound ID |
CP0442769
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| Compound Name |
3-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-N-methylbenzene-1,3-disulfonamide
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| Structure |
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| Formula |
C16H14F6N2O5S2
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| Molecular Weight |
492.419
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| Canonical SMILES |
CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccc(c1)S(N)(=O)=O
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| InChI |
InChI=1S/C16H14F6N2O5S2/c1-24(31(28,29)13-4-2-3-12(9-13)30(23,26)27)11-7-5-10(6-8-11)14(25,15(17,18)19)16(20,21)22/h2-9,25H,1H3,(H2,23,26,27)
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| InChIKey |
YGJMGSFABPBUSU-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