General Information of the Compound
| Compound ID |
CP0904191
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| Compound Name |
5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-3-methylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C13H12BrNO4S
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| Molecular Weight |
358.213
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| Canonical SMILES |
CCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1O
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| InChI |
InChI=1S/C13H12BrNO4S/c1-3-19-10-4-7(8(14)6-9(10)16)5-11-12(17)15(2)13(18)20-11/h4-6,16H,3H2,1-2H3/b11-5-
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| InChIKey |
NLKXGTXKRFCQBU-WZUFQYTHSA-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