General Information of the Compound
| Compound ID |
CP0423265
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| Compound Name |
3-(2-ethylsulfanylcarbothioylsulfanylacetyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C19H21NO4S4
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| Molecular Weight |
455.648
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)N(C)c1ccc(OC)cc1
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| InChI |
InChI=1S/C19H21NO4S4/c1-4-26-19(25)27-13-18(21)14-6-5-7-17(12-14)28(22,23)20(2)15-8-10-16(24-3)11-9-15/h5-12H,4,13H2,1-3H3
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| InChIKey |
FIPYITCQUHBSCJ-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