General Information of the Compound
| Compound ID |
CP0426034
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| Compound Name |
3-(4-Methanesulfonyl-phenyl)-2-(2,2,2-trifluoro-ethoxy)-5-trifluoromethyl-pyridine
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| Structure |
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| Formula |
C15H11F6NO3S
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| Molecular Weight |
399.312
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1OCC(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C15H11F6NO3S/c1-26(23,24)11-4-2-9(3-5-11)12-6-10(15(19,20)21)7-22-13(12)25-8-14(16,17)18/h2-7H,8H2,1H3
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| InChIKey |
OPYQRHRKRPFJGD-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