General Information of the Compound
| Compound ID |
CP0858725
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| Compound Name |
sodium 5-(4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidine-5-carbothioamido)furan-2-sulfonate
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| Structure |
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| Formula |
C15H8F3N2NaO5S4
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| Molecular Weight |
504.49
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| Canonical SMILES |
O=C1C(C(=S)Nc2ccc(S(=O)(=O)[O-])o2)SC(=S)N1c1cccc(C(F)(F)F)c1.[Na+]
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| InChI |
InChI=1S/C15H9F3N2O5S4.Na/c16-15(17,18)7-2-1-3-8(6-7)20-13(21)11(28-14(20)27)12(26)19-9-4-5-10(25-9)29(22,23)24;/h1-6,11H,(H,19,26)(H,22,23,24);/q;+1/p-1
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| InChIKey |
ASNWODZWBDMNSO-UHFFFAOYSA-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