General Information of the Compound
| Compound ID |
CP0526477
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| Compound Name |
2-[5-(4-Methoxy-benzylcarbamoyl-methyl)-thiophen-2-yl]-2-oxoethyl ethyltrithiocarbonate
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| Structure |
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| Formula |
C19H21NO3S4
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| Molecular Weight |
439.649
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(CC(=O)NCc2ccc(OC)cc2)s1
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| InChI |
InChI=1S/C19H21NO3S4/c1-3-25-19(24)26-12-16(21)17-9-8-15(27-17)10-18(22)20-11-13-4-6-14(23-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,20,22)
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| InChIKey |
QUEZOCXDBQVCED-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