General Information of the Compound
| Compound ID |
CP0411214
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| Compound Name |
ethyl 3-methyl-5-(thiophen-2-ylsulfonylamino)-1-benzofuran-2-carboxylate
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| Structure |
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| Formula |
C16H15NO5S2
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| Molecular Weight |
365.432
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| Canonical SMILES |
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccs3)cc2c1C
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| InChI |
InChI=1S/C16H15NO5S2/c1-3-21-16(18)15-10(2)12-9-11(6-7-13(12)22-15)17-24(19,20)14-5-4-8-23-14/h4-9,17H,3H2,1-2H3
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| InChIKey |
ZASLHZIJOQFJDQ-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