General Information of the Compound
| Compound ID |
CP0310681
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| Compound Name |
2-[3-[(2-amino-6-methylpyridin-3-yl)methyl]-4-ethyl-1,3-thiazol-3-ium-5-yl]ethanol
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| Structure |
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| Formula |
C14H20N3OS+
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| Molecular Weight |
278.401
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| Canonical SMILES |
CCc1c(CCO)sc[n+]1Cc1ccc(C)nc1N
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| InChI |
InChI=1S/C14H20N3OS/c1-3-12-13(6-7-18)19-9-17(12)8-11-5-4-10(2)16-14(11)15/h4-5,9,18H,3,6-8H2,1-2H3,(H2,15,16)/q+1
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| InChIKey |
DEHYNJIMUYEFER-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