General Information of the Compound
| Compound ID |
CP0920866
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| Compound Name |
3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydroxy-ethyl)-2,4-dimethyl-thiazol-3-ium chloride
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| Structure |
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| Formula |
C14H20ClN3OS
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| Molecular Weight |
313.854
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| Canonical SMILES |
Cc1ccc(C[n+]2c(C)sc(CCO)c2C)c(N)n1.[Cl-]
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| InChI |
InChI=1S/C14H20N3OS.ClH/c1-9-4-5-12(14(15)16-9)8-17-10(2)13(6-7-18)19-11(17)3;/h4-5,18H,6-8H2,1-3H3,(H2,15,16);1H/q+1;/p-1
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| InChIKey |
KQUBTGCCGYRGNH-UHFFFAOYSA-M
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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