General Information of the Compound
| Compound ID |
CP0859850
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| Compound Name |
5-[3-Methoxy-4-(2-nitrophenoxy)benzylidene]thiazolidine-2,4-dione
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| Structure |
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| Formula |
C17H12N2O6S
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| Molecular Weight |
372.358
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| Canonical SMILES |
COc1cc(/C=C2\SC(=O)NC2=O)ccc1Oc1ccccc1[N+](=O)[O-]
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| InChI |
InChI=1S/C17H12N2O6S/c1-24-14-8-10(9-15-16(20)18-17(21)26-15)6-7-13(14)25-12-5-3-2-4-11(12)19(22)23/h2-9H,1H3,(H,18,20,21)/b15-9-
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| InChIKey |
CRTRBRWOZKROSF-DHDCSXOGSA-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