General Information of the Compound
| Compound ID |
CP0195676
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| Compound Name |
6-amino-5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]pyridine-2-carbonitrile
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| Structure |
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| Formula |
C13H15N4OS+
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| Molecular Weight |
275.357
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| Canonical SMILES |
Cc1c(CCO)sc[n+]1Cc1ccc(nc1N)C#N
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| InChI |
InChI=1S/C13H15N4OS/c1-9-12(4-5-18)19-8-17(9)7-10-2-3-11(6-14)16-13(10)15/h2-3,8,18H,4-5,7H2,1H3,(H2,15,16)/q+1
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| InChIKey |
NNVZYPUOTIFBOV-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