General Information of the Compound
| Compound ID |
CP0016911
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| Compound Name |
8-(2-methyl-1-oxidopyridin-1-ium-3-yl)oxy-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide
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| Structure |
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| Formula |
C16H13N3O3S2
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| Molecular Weight |
359.432
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| Canonical SMILES |
Cc1c(Oc2sc(C(N)=O)c3CCc4cnsc4-c23)ccc[n+]1[O-]
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| InChI |
InChI=1S/C16H13N3O3S2/c1-8-11(3-2-6-19(8)21)22-16-12-10(14(23-16)15(17)20)5-4-9-7-18-24-13(9)12/h2-3,6-7H,4-5H2,1H3,(H2,17,20)
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| InChIKey |
NFUKLMJHYQPDNT-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