General Information of the Compound
| Compound ID |
CP0528262
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| Compound Name |
methyl 3-[3-[(2-amino-6-methylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]propanoate
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| Structure |
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| Formula |
C15H20N3O2S+
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| Molecular Weight |
306.411
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| Canonical SMILES |
COC(=O)CCc1sc[n+](Cc2ccc(C)nc2N)c1C
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| InChI |
InChI=1S/C15H20N3O2S/c1-10-4-5-12(15(16)17-10)8-18-9-21-13(11(18)2)6-7-14(19)20-3/h4-5,9H,6-8H2,1-3H3,(H2,16,17)/q+1
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| InChIKey |
IQQKVIAZJACLFJ-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