General Information of the Compound
| Compound ID |
CP0384974
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| Compound Name |
2-ethylsulfanylcarbothioylsulfanyl-1-(4-methoxyphenyl)ethanone
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| Structure |
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| Formula |
C12H14O2S3
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| Molecular Weight |
286.443
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C12H14O2S3/c1-3-16-12(15)17-8-11(13)9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3
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| InChIKey |
LZSHDMJZIRLVAP-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT01213, Histone deacetylase 6
Cell Viability or Cytotoxicity Assay