General Information of the Compound
| Compound ID |
CP0460642
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| Compound Name |
2-dodecylsulfanylnaphthalene-1,4-dione
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| Structure |
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| Formula |
C22H30O2S
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| Molecular Weight |
358.547
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| Canonical SMILES |
CCCCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C22H30O2S/c1-2-3-4-5-6-7-8-9-10-13-16-25-21-17-20(23)18-14-11-12-15-19(18)22(21)24/h11-12,14-15,17H,2-10,13,16H2,1H3
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| InChIKey |
LCPFEOCTEOJBTJ-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