General Information of the Compound
| Compound ID |
CP0424187
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| Compound Name |
4-[[2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-1-yl]methyl]-N-hydroxybenzamide
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| Structure |
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| Formula |
C22H19N3O4S
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| Molecular Weight |
421.478
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| Canonical SMILES |
ONC(=O)c1ccc(Cn2c3sccc3c(=O)n(CCc3ccccc3)c2=O)cc1
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| InChI |
InChI=1S/C22H19N3O4S/c26-19(23-29)17-8-6-16(7-9-17)14-25-21-18(11-13-30-21)20(27)24(22(25)28)12-10-15-4-2-1-3-5-15/h1-9,11,13,29H,10,12,14H2,(H,23,26)
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| InChIKey |
VKPWNCIKBOEMOP-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: PT02410, Histone deacetylase 11
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8