General Information of the Compound
| Compound ID |
CP0769721
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| Compound Name |
Sodium(Z)-4-((2-Oxo-4-thioxothiazolidin-5-ylidene)methyl)-benzoate
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| Structure |
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| Formula |
C11H6NNaO3S2
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| Molecular Weight |
287.297
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| Canonical SMILES |
O=C1NC(=S)/C(=C/c2ccc(C(=O)[O-])cc2)S1.[Na+]
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| InChI |
InChI=1S/C11H7NO3S2.Na/c13-10(14)7-3-1-6(2-4-7)5-8-9(16)12-11(15)17-8;/h1-5H,(H,13,14)(H,12,15,16);/q;+1/p-1/b8-5-;
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| InChIKey |
GHZKZBKALXTVIL-HGKIGUAWSA-M
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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