General Information of the Compound
| Compound ID |
CP0572585
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| Compound Name |
5,8-dimethoxy-2-pentylsulfonylnaphthalene-1,4-dione
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| Structure |
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| Formula |
C17H20O6S
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| Molecular Weight |
352.408
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| Canonical SMILES |
CCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O
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| InChI |
InChI=1S/C17H20O6S/c1-4-5-6-9-24(20,21)14-10-11(18)15-12(22-2)7-8-13(23-3)16(15)17(14)19/h7-8,10H,4-6,9H2,1-3H3
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| InChIKey |
JGKCVDWXTOTROY-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