General Information of the Compound
| Compound ID |
CP0908846
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| Compound Name |
2-Pentylsulfinyl-1,4-naphthoquinone
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| Structure |
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| Formula |
C15H16O3S
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| Molecular Weight |
276.357
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| Canonical SMILES |
CCCCC[S+]([O-])C1=CC(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C15H16O3S/c1-2-3-6-9-19(18)14-10-13(16)11-7-4-5-8-12(11)15(14)17/h4-5,7-8,10H,2-3,6,9H2,1H3
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| InChIKey |
CUCRNUWFPPSZJP-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