General Information of the Compound
| Compound ID |
CP0727807
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| Compound Name |
(Z)-Methyl 4-((2-oxo-4-thioxothiazolidin-5-ylidene)methyl)-benzoate
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| Structure |
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| Formula |
C12H9NO3S2
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| Molecular Weight |
279.342
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| Canonical SMILES |
COC(=O)c1ccc(/C=C2\SC(=O)NC2=S)cc1
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| InChI |
InChI=1S/C12H9NO3S2/c1-16-11(14)8-4-2-7(3-5-8)6-9-10(17)13-12(15)18-9/h2-6H,1H3,(H,13,15,17)/b9-6-
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| InChIKey |
YQEWVSSEEWAWFP-TWGQIWQCSA-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