General Information of the Compound
| Compound ID |
CP0096183
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| Compound Name |
2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine
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| Structure |
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| Formula |
C14H9F4NO2S
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| Molecular Weight |
331.29
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| Canonical SMILES |
Fc1ccccc1\C=C\S(=O)(=O)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C14H9F4NO2S/c15-12-6-2-1-4-10(12)7-9-22(20,21)13-11(14(16,17)18)5-3-8-19-13/h1-9H/b9-7+
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| InChIKey |
JKRLFQIQUWQHNR-VQHVLOKHSA-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