General Information of the Compound
| Compound ID |
CP0188778
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| Compound Name |
2-[(E)-2-(3-fluoropyridin-2-yl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine
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| Structure |
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| Formula |
C13H8F4N2O2S
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| Molecular Weight |
332.278
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| Canonical SMILES |
Fc1cccnc1\C=C\S(=O)(=O)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C13H8F4N2O2S/c14-10-4-2-6-18-11(10)5-8-22(20,21)12-9(13(15,16)17)3-1-7-19-12/h1-8H/b8-5+
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| InChIKey |
RSIQPRGGGCHWBJ-VMPITWQZSA-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