General Information of the Compound
| Compound ID |
CP0310680
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| Compound Name |
1-[3-[(2-amino-6-methylpyridin-3-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]ethanol
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| Structure |
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| Formula |
C15H22N3O2S+
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| Molecular Weight |
308.427
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| Canonical SMILES |
CC(O)c1sc(CCO)c(C)[n+]1Cc1ccc(C)nc1N
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| InChI |
InChI=1S/C15H22N3O2S/c1-9-4-5-12(14(16)17-9)8-18-10(2)13(6-7-19)21-15(18)11(3)20/h4-5,11,19-20H,6-8H2,1-3H3,(H2,16,17)/q+1
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| InChIKey |
DWRRTEDXTSWPON-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