General Information of the Compound
| Compound ID |
CP0195672
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| Compound Name |
2-[4-methyl-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,3-thiazol-3-ium-5-yl]ethanol
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| Structure |
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| Formula |
C13H14F3N2OS+
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| Molecular Weight |
303.329
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| Canonical SMILES |
Cc1c(CCO)sc[n+]1Cc1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C13H14F3N2OS/c1-9-11(4-5-19)20-8-18(9)7-10-2-3-12(17-6-10)13(14,15)16/h2-3,6,8,19H,4-5,7H2,1H3/q+1
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| InChIKey |
LVVFZTBWBOICDD-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