General Information of the Compound
| Compound ID |
CP0916490
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| Compound Name |
(E,Z)-5-((3-(1-Oxo-1,3-dihydroisobenzofuran-5-yl)isothiazol-4-yl)methylene)-2-thioxoimidazolidin-4-one
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| Structure |
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| Formula |
C15H9N3O3S2
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| Molecular Weight |
343.389
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| Canonical SMILES |
O=C1NC(=S)N/C1=C\c1csnc1-c1ccc2c(c1)COC2=O
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| InChI |
InChI=1S/C15H9N3O3S2/c19-13-11(16-15(22)17-13)4-9-6-23-18-12(9)7-1-2-10-8(3-7)5-21-14(10)20/h1-4,6H,5H2,(H2,16,17,19,22)/b11-4-
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| InChIKey |
RERYUTRIFXKOJT-WCIBSUBMSA-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