General Information of the Compound
| Compound ID |
CP0450259
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| Compound Name |
5,8-dimethoxy-2-methylsulfinylnaphthalene-1,4-dione
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| Structure |
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| Formula |
C13H12O5S
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| Molecular Weight |
280.301
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| Canonical SMILES |
COc1ccc(OC)c2C(=O)C(=CC(=O)c12)S(C)=O
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| InChI |
InChI=1S/C13H12O5S/c1-17-8-4-5-9(18-2)12-11(8)7(14)6-10(13(12)15)19(3)16/h4-6H,1-3H3
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| InChIKey |
LQRFLPJRSIXNRJ-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