General Information of the Compound
| Compound ID |
CP0434286
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| Compound Name |
2-propylsulfanylnaphthalene-1,4-dione
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| Structure |
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| Formula |
C13H12O2S
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| Molecular Weight |
232.304
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| Canonical SMILES |
CCCSC1=CC(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C13H12O2S/c1-2-7-16-12-8-11(14)9-5-3-4-6-10(9)13(12)15/h3-6,8H,2,7H2,1H3
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| InChIKey |
IBHBETRWHUPVOC-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