General Information of the Compound
| Compound ID |
CP0522981
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| Compound Name |
2-(4-Acetylamino-phenyl)-2-oxoethyl Ethyl Trithiocarbonate
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| Structure |
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| Formula |
C13H15NO2S3
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| Molecular Weight |
313.469
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(NC(C)=O)cc1
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| InChI |
InChI=1S/C13H15NO2S3/c1-3-18-13(17)19-8-12(16)10-4-6-11(7-5-10)14-9(2)15/h4-7H,3,8H2,1-2H3,(H,14,15)
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| InChIKey |
UPCXJNFWPGBLMF-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