General Information of the Compound
| Compound ID |
CP0540548
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| Compound Name |
2-heptylsulfonyl-5,8-dimethoxynaphthalene-1,4-dione
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| Structure |
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| Formula |
C19H24O6S
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| Molecular Weight |
380.462
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| Canonical SMILES |
CCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O
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| InChI |
InChI=1S/C19H24O6S/c1-4-5-6-7-8-11-26(22,23)16-12-13(20)17-14(24-2)9-10-15(25-3)18(17)19(16)21/h9-10,12H,4-8,11H2,1-3H3
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| InChIKey |
QIQBZAGIWZMJJI-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