General Information of the Compound
| Compound ID |
CP0894412
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| Compound Name |
sodium 4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-5-ylidene)methyl)benzenesulfonate
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| Structure |
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| Formula |
C17H9F3NNaO4S3
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| Molecular Weight |
467.447
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| Canonical SMILES |
O=C1/C(=C/c2ccc(S(=O)(=O)[O-])cc2)SC(=S)N1c1cccc(C(F)(F)F)c1.[Na+]
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| InChI |
InChI=1S/C17H10F3NO4S3.Na/c18-17(19,20)11-2-1-3-12(9-11)21-15(22)14(27-16(21)26)8-10-4-6-13(7-5-10)28(23,24)25;/h1-9H,(H,23,24,25);/q;+1/p-1/b14-8-;
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| InChIKey |
SBBWDUVQYCWSNM-ZXDBEMHSSA-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