General Information of the Compound
| Compound ID |
CP0416996
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| Compound Name |
N-[4-(4-ethylanilino)thieno[3,2-d]pyrimidin-6-yl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C22H27N5O3S
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| Molecular Weight |
441.557
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| Canonical SMILES |
CCc1ccc(Nc2ncnc3cc(NC(=O)CCCCCCC(=O)NO)sc23)cc1
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| InChI |
InChI=1S/C22H27N5O3S/c1-2-15-9-11-16(12-10-15)25-22-21-17(23-14-24-22)13-20(31-21)26-18(28)7-5-3-4-6-8-19(29)27-30/h9-14,30H,2-8H2,1H3,(H,26,28)(H,27,29)(H,23,24,25)
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| InChIKey |
MEOHMFSQMVKOCD-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6