General Information of the Compound
| Compound ID |
CP0876597
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| Compound Name |
2-Pentylsulfinyl-5,8-dimethoxy-1,4-naphthoquinone
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| Structure |
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| Formula |
C17H20O5S
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| Molecular Weight |
336.409
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| Canonical SMILES |
CCCCC[S+]([O-])C1=CC(=O)c2c(OC)ccc(OC)c2C1=O
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| InChI |
InChI=1S/C17H20O5S/c1-4-5-6-9-23(20)14-10-11(18)15-12(21-2)7-8-13(22-3)16(15)17(14)19/h7-8,10H,4-6,9H2,1-3H3
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| InChIKey |
RUSXCXCGQFYCOW-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