General Information of the Compound
| Compound ID |
CP0482051
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| Compound Name |
2-heptylsulfanylnaphthalene-1,4-dione
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| Structure |
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| Formula |
C17H20O2S
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| Molecular Weight |
288.412
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| Canonical SMILES |
CCCCCCCSC1=CC(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C17H20O2S/c1-2-3-4-5-8-11-20-16-12-15(18)13-9-6-7-10-14(13)17(16)19/h6-7,9-10,12H,2-5,8,11H2,1H3
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| InChIKey |
KUCKSRCSUFUNKD-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