General Information of the Compound
| Compound ID |
CP0436193
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| Compound Name |
5-(4-Pyridinylmethylene)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-4-thiazolidinone
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| Structure |
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| Formula |
C16H9F3N2OS2
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| Molecular Weight |
366.389
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccncc2)C1=O
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| InChI |
InChI=1S/C16H9F3N2OS2/c17-16(18,19)11-2-1-3-12(9-11)21-14(22)13(24-15(21)23)8-10-4-6-20-7-5-10/h1-9H/b13-8-
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| InChIKey |
HWNPLTRMJFWBFM-JYRVWZFOSA-N
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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