General Information of the Compound
| Compound ID |
CP0921935
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| Compound Name |
sodium 3-(4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidine-5-carbothioamido)benzenesulfonate
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| Structure |
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| Formula |
C17H10F3N2NaO4S4
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| Molecular Weight |
514.529
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| Canonical SMILES |
O=C1C(C(=S)Nc2ccc(S(=O)(=O)[O-])cc2)SC(=S)N1c1cccc(C(F)(F)F)c1.[Na+]
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| InChI |
InChI=1S/C17H11F3N2O4S4.Na/c18-17(19,20)9-2-1-3-11(8-9)22-15(23)13(29-16(22)28)14(27)21-10-4-6-12(7-5-10)30(24,25)26;/h1-8,13H,(H,21,27)(H,24,25,26);/q;+1/p-1
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| InChIKey |
LYLLWPOBZIAIDO-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