General Information of the Compound
| Compound ID |
CP0344464
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| Compound Name |
2-[3-[(2-amino-6-methylpyridin-3-yl)methyl]-2-methyl-1,3-thiazol-3-ium-5-yl]ethanol
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| Structure |
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| Formula |
C13H18N3OS+
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| Molecular Weight |
264.374
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| Canonical SMILES |
Cc1sc(CCO)c[n+]1Cc1ccc(C)nc1N
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| InChI |
InChI=1S/C13H18N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-12(5-6-17)18-10(16)2/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15)/q+1
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| InChIKey |
XZYXLAKAMBDTPP-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