General Information of the Compound
| Compound ID |
CP0920865
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| Compound Name |
3-(2-amino-6-chloro-pyridin-3-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium chloride
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| Structure |
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| Formula |
C12H15Cl2N3OS
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| Molecular Weight |
320.245
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| Canonical SMILES |
Cc1c(CCO)sc[n+]1Cc1ccc(Cl)nc1N.[Cl-]
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| InChI |
InChI=1S/C12H15ClN3OS.ClH/c1-8-10(4-5-17)18-7-16(8)6-9-2-3-11(13)15-12(9)14;/h2-3,7,17H,4-6H2,1H3,(H2,14,15);1H/q+1;/p-1
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| InChIKey |
KGDAMYIYSDSOJF-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