General Information of the Compound
| Compound ID |
CP0531030
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| Compound Name |
6-(1-benzofuran-2-yl)-2-methylsulfonylimidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C13H9N3O3S2
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| Molecular Weight |
319.367
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| Canonical SMILES |
CS(=O)(=O)c1nn2cc(nc2s1)-c1cc2ccccc2o1
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| InChI |
InChI=1S/C13H9N3O3S2/c1-21(17,18)13-15-16-7-9(14-12(16)20-13)11-6-8-4-2-3-5-10(8)19-11/h2-7H,1H3
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| InChIKey |
SDVJCZBQXVMSAB-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