General Information of the Compound
| Compound ID |
CP0955934
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| Compound Name |
3-(2-amino-pyridin-3-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium chloride
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| Structure |
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| Formula |
C12H16ClN3OS
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| Molecular Weight |
285.8
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| Canonical SMILES |
Cc1c(CCO)sc[n+]1Cc1cccnc1N.[Cl-]
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| InChI |
InChI=1S/C12H16N3OS.ClH/c1-9-11(4-6-16)17-8-15(9)7-10-3-2-5-14-12(10)13;/h2-3,5,8,16H,4,6-7H2,1H3,(H2,13,14);1H/q+1;/p-1
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| InChIKey |
FUVYHPLUDMLDOA-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