General Information of the Compound
| Compound ID |
CP0482049
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| Compound Name |
2-pentadecylsulfanylnaphthalene-1,4-dione
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| Structure |
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| Formula |
C25H36O2S
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| Molecular Weight |
400.628
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| Canonical SMILES |
CCCCCCCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C25H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-28-24-20-23(26)21-17-14-15-18-22(21)25(24)27/h14-15,17-18,20H,2-13,16,19H2,1H3
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| InChIKey |
NYHVFZOXHOVUDK-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