General Information of the Compound
| Compound ID |
CP0541222
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| Compound Name |
2-methoxyethyl 2-(4-methoxyphenyl)-2-oxoethyl trithiocarbonate
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| Structure |
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| Formula |
C13H16O3S3
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| Molecular Weight |
316.469
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| Canonical SMILES |
COCCSC(=S)SCC(=O)c1ccc(OC)cc1
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| InChI |
InChI=1S/C13H16O3S3/c1-15-7-8-18-13(17)19-9-12(14)10-3-5-11(16-2)6-4-10/h3-6H,7-9H2,1-2H3
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| InChIKey |
RPRDDMFAESDZSN-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