General Information of the Compound
| Compound ID |
CP0916639
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| Compound Name |
sodium (4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-5-ylidene)methyl)benzene-1,3-disulfonate
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| Structure |
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| Formula |
C17H8F3NNa2O7S4
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| Molecular Weight |
569.493
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| Canonical SMILES |
O=C1/C(=C/c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1.[Na+].[Na+]
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| InChI |
InChI=1S/C17H10F3NO7S4.2Na/c18-17(19,20)10-2-1-3-11(7-10)21-15(22)13(30-16(21)29)6-9-4-5-12(31(23,24)25)8-14(9)32(26,27)28;;/h1-8H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2/b13-6-;;
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| InChIKey |
UPNTYKZVRLZSAF-RLVKRUPBSA-L
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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