General Information of the Compound
| Compound ID |
CP0201638
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| Compound Name |
2-(1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid
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| Structure |
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| Formula |
C13H10O4S
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| Molecular Weight |
262.286
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| Canonical SMILES |
CC(SC1=CC(=O)c2ccccc2C1=O)C(O)=O
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| InChI |
InChI=1S/C13H10O4S/c1-7(13(16)17)18-11-6-10(14)8-4-2-3-5-9(8)12(11)15/h2-7H,1H3,(H,16,17)
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| InChIKey |
OUFIZXDVAUZHEC-UHFFFAOYSA-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