General Information of the Compound
| Compound ID |
CP0525863
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| Compound Name |
2-[4-(N-Acetyl-N-methylamino-methyl)-phenyl]-2-oxoethyl ethyl trithiocarbonate
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| Structure |
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| Formula |
C15H19NO2S3
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| Molecular Weight |
341.523
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(CN(C)C(C)=O)cc1
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| InChI |
InChI=1S/C15H19NO2S3/c1-4-20-15(19)21-10-14(18)13-7-5-12(6-8-13)9-16(3)11(2)17/h5-8H,4,9-10H2,1-3H3
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| InChIKey |
SFAAXJJCODFPCJ-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