General Information of the Compound
| Compound ID |
CP0454826
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| Compound Name |
ethyl 3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-2-carboxylate
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| Structure |
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| Formula |
C19H19NO5S
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| Molecular Weight |
373.43
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| Canonical SMILES |
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2c1C
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| InChI |
InChI=1S/C19H19NO5S/c1-4-24-19(21)18-13(3)16-11-14(7-10-17(16)25-18)20-26(22,23)15-8-5-12(2)6-9-15/h5-11,20H,4H2,1-3H3
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| InChIKey |
ZCQFSTCIEKKBNG-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