General Information of the Compound
| Compound ID |
CP0859848
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| Compound Name |
5-[3-Methoxy-4-(2-nitro-4-trifluoromethylphenoxy)benzylidene]-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C18H11F3N2O6S
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| Molecular Weight |
440.355
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| Canonical SMILES |
COc1cc(/C=C2\SC(=O)NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
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| InChI |
InChI=1S/C18H11F3N2O6S/c1-28-14-6-9(7-15-16(24)22-17(25)30-15)2-4-13(14)29-12-5-3-10(18(19,20)21)8-11(12)23(26)27/h2-8H,1H3,(H,22,24,25)/b15-7-
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| InChIKey |
ILKFSEKZOCZUAW-CHHVJCJISA-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