General Information of the Compound
| Compound ID |
CP0966766
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| Compound Name |
(Z)-3-isopropyl-5-((5-(pyridin-2-ylthio)furan-2-yl)methylene)thiazolidine-2,4-dione
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| Structure |
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| Formula |
C16H14N2O3S2
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| Molecular Weight |
346.433
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| Canonical SMILES |
CC(C)N1C(=O)S/C(=C\c2ccc(Sc3ccccn3)o2)C1=O
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| InChI |
InChI=1S/C16H14N2O3S2/c1-10(2)18-15(19)12(22-16(18)20)9-11-6-7-14(21-11)23-13-5-3-4-8-17-13/h3-10H,1-2H3/b12-9-
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| InChIKey |
SENCRKGGJNPLNR-XFXZXTDPSA-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