General Information of the Compound
| Compound ID |
CP0431824
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| Compound Name |
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-methylsulfonylpropanamide
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| Structure |
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| Formula |
C13H16N2O4S3
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| Molecular Weight |
360.482
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| Canonical SMILES |
CCOc1ccc2nc(SC(C)C(=O)NS(C)(=O)=O)sc2c1
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| InChI |
InChI=1S/C13H16N2O4S3/c1-4-19-9-5-6-10-11(7-9)21-13(14-10)20-8(2)12(16)15-22(3,17)18/h5-8H,4H2,1-3H3,(H,15,16)
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| InChIKey |
JFVSEGVRRFTMCD-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