General Information of the Compound
| Compound ID |
CP0498048
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| Compound Name |
4-Oxo-[(3-trifluoromethyl)phenyl]-2-thioxo-N-[(4-carboxy-3-hydroxy)phenyl]-5-thiazolidinethiocarboxamide
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| Structure |
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| Formula |
C18H11F3N2O4S3
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| Molecular Weight |
472.491
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| Canonical SMILES |
OC(=O)c1ccc(NC(=S)C2SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1O
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| InChI |
InChI=1S/C18H11F3N2O4S3/c19-18(20,21)8-2-1-3-10(6-8)23-15(25)13(30-17(23)29)14(28)22-9-4-5-11(16(26)27)12(24)7-9/h1-7,13,24H,(H,22,28)(H,26,27)
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| InChIKey |
NPRZPFHQQHKIFR-UHFFFAOYSA-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