General Information of the Compound
| Compound ID |
CP0497936
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| Compound Name |
5-(2-ethylsulfanylcarbothioylsulfanylacetyl)-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C18H19NO2S4
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| Molecular Weight |
409.623
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(s1)C(=O)N[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C18H19NO2S4/c1-3-23-18(22)24-11-14(20)15-9-10-16(25-15)17(21)19-12(2)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,19,21)/t12-/m0/s1
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| InChIKey |
PHRZHWJJTXWEKH-LBPRGKRZSA-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