General Information of the Compound
| Compound ID |
CP0372796
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| Compound Name |
3-(2-ethylsulfanylcarbothioylsulfanylacetyl)-N-(4-methoxyphenyl)benzenesulfonamide
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| Structure |
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| Formula |
C18H19NO4S4
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| Molecular Weight |
441.621
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(OC)cc1
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| InChI |
InChI=1S/C18H19NO4S4/c1-3-25-18(24)26-12-17(20)13-5-4-6-16(11-13)27(21,22)19-14-7-9-15(23-2)10-8-14/h4-11,19H,3,12H2,1-2H3
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| InChIKey |
AOMSINXRCCMAEK-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