General Information of the Compound
| Compound ID |
CP0491703
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| Compound Name |
ethyl 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
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| Structure |
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| Formula |
C14H18O5S2
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| Molecular Weight |
330.427
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| Canonical SMILES |
CCOC(=O)c1sc(c2c1CC(C)(C)CC2=O)S(C)(=O)=O
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| InChI |
InChI=1S/C14H18O5S2/c1-5-19-12(16)11-8-6-14(2,3)7-9(15)10(8)13(20-11)21(4,17)18/h5-7H2,1-4H3
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| InChIKey |
VWTILAZGQNBROA-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