General Information of the Compound
| Compound ID |
CP0506473
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| Compound Name |
2-[3-(3-Aminocarbonyl-phenylsulfamoyl)-phenyl]-2-oxoethyl ethyl trithiocarbonate
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| Structure |
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| Formula |
C18H18N2O4S4
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| Molecular Weight |
454.62
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(N)=O
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| InChI |
InChI=1S/C18H18N2O4S4/c1-2-26-18(25)27-11-16(21)12-5-4-8-15(10-12)28(23,24)20-14-7-3-6-13(9-14)17(19)22/h3-10,20H,2,11H2,1H3,(H2,19,22)
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| InChIKey |
IMTBCRKFPTWXLU-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