General Information of the Compound
| Compound ID |
CP0387038
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| Compound Name |
2-butylsulfonyl-5,8-dimethoxynaphthalene-1,4-dione
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| Structure |
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| Formula |
C16H18O6S
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| Molecular Weight |
338.381
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| Canonical SMILES |
CCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O
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| InChI |
InChI=1S/C16H18O6S/c1-4-5-8-23(19,20)13-9-10(17)14-11(21-2)6-7-12(22-3)15(14)16(13)18/h6-7,9H,4-5,8H2,1-3H3
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| InChIKey |
AZLLTSTUILWUGH-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