General Information of the Compound
| Compound ID |
CP0522171
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| Compound Name |
N-[4-(2-ethylsulfanylcarbothioylsulfanylacetyl)phenyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C17H16N2O2S3
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| Molecular Weight |
376.528
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(NC(=O)c2cccnc2)cc1
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| InChI |
InChI=1S/C17H16N2O2S3/c1-2-23-17(22)24-11-15(20)12-5-7-14(8-6-12)19-16(21)13-4-3-9-18-10-13/h3-10H,2,11H2,1H3,(H,19,21)
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| InChIKey |
PKCIYQRNTBVWMY-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