General Information of the Compound
| Compound ID |
CP0444615
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| Compound Name |
2-ethylsulfanylcarbothioylsulfanyl-1-(4-methylphenyl)ethanone
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| Structure |
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| Formula |
C12H14OS3
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| Molecular Weight |
270.444
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C12H14OS3/c1-3-15-12(14)16-8-11(13)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
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| InChIKey |
AEKWVQVKWFZHDI-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