General Information of the Compound
| Compound ID |
CP0946065
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| Compound Name |
methyl 2-((Z)-5-((E)-3-(furan-2-yl)allylidene)-2,4-dioxothiazolidin-3-yl)propanoate
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| Structure |
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| Formula |
C14H13NO5S
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| Molecular Weight |
307.327
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| Canonical SMILES |
COC(=O)C(C)N1C(=O)S/C(=C\C=C\c2ccco2)C1=O
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| InChI |
InChI=1S/C14H13NO5S/c1-9(13(17)19-2)15-12(16)11(21-14(15)18)7-3-5-10-6-4-8-20-10/h3-9H,1-2H3/b5-3+,11-7-
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| InChIKey |
GWKNZVWFQKSEKO-PGACXJNKSA-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