General Information of the Compound
| Compound ID |
CP0364428
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| Compound Name |
N-[6-amino-5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]pyridin-2-yl]acetamide
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| Structure |
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| Formula |
C14H19N4O2S+
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| Molecular Weight |
307.399
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| Canonical SMILES |
CC(=O)Nc1ccc(C[n+]2csc(CCO)c2C)c(N)n1
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| InChI |
InChI=1S/C14H18N4O2S/c1-9-12(5-6-19)21-8-18(9)7-11-3-4-13(16-10(2)20)17-14(11)15/h3-4,8,19H,5-7H2,1-2H3,(H2-,15,16,17,20)/p+1
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| InChIKey |
IIDHFPRCUXZGGE-UHFFFAOYSA-O
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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