General Information of the Compound
| Compound ID |
CP0444604
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| Compound Name |
2-(5-Benzylcarbamoyl-thiophen-2-yl)-2-oxoethyl ethyl trithiocarbonate
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| Structure |
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| Formula |
C17H17NO2S4
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| Molecular Weight |
395.596
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(s1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C17H17NO2S4/c1-2-22-17(21)23-11-13(19)14-8-9-15(24-14)16(20)18-10-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,18,20)
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| InChIKey |
TWEPSOCUPBNCHH-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