General Information of the Compound
| Compound ID |
CP0749247
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| Compound Name |
3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium chloride
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| Structure |
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| Formula |
C13H18ClN3OS
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| Molecular Weight |
299.827
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| Canonical SMILES |
Cc1ccc(C[n+]2csc(CCO)c2C)c(N)n1.[Cl-]
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| InChI |
InChI=1S/C13H18N3OS.ClH/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2;/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15);1H/q+1;/p-1
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| InChIKey |
IMCOIDTUMNWFER-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