General Information of the Compound
| Compound ID |
CP0534354
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| Compound Name |
3-Ethoxycarbonylmethylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C15H18O5S2
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| Molecular Weight |
342.438
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| Canonical SMILES |
CCOC(=O)CSc1sc(C(=O)OCC)c2CCCC(=O)c12
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| InChI |
InChI=1S/C15H18O5S2/c1-3-19-11(17)8-21-15-12-9(6-5-7-10(12)16)13(22-15)14(18)20-4-2/h3-8H2,1-2H3
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| InChIKey |
XCOXOTJHYIPVBY-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