General Information of the Compound
| Compound ID |
CP0423394
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| Compound Name |
N-[(1R)-1-phenylethyl]-5-(2-propylsulfanylcarbothioylsulfanylacetyl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C19H21NO2S4
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| Molecular Weight |
423.65
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| Canonical SMILES |
CCCSC(=S)SCC(=O)c1ccc(s1)C(=O)N[C@H](C)c1ccccc1
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| InChI |
InChI=1S/C19H21NO2S4/c1-3-11-24-19(23)25-12-15(21)16-9-10-17(26-16)18(22)20-13(2)14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,20,22)/t13-/m1/s1
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| InChIKey |
RQBYQWASRFBDRN-CYBMUJFWSA-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