General Information of the Compound
| Compound ID |
CP0731873
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| Compound Name |
(E)-3-(2-Ethyl-7-fluoro-4-oxo-3-phenethyl-3,4-dihydroquinazolin-6-yl)-N-hydroxyacrylamide
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| Structure |
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| Formula |
C21H20FN3O3
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| Molecular Weight |
381.407
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| Canonical SMILES |
CCc1nc2cc(F)c(/C=C/C(=O)NO)cc2c(=O)n1CCc1ccccc1
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| InChI |
InChI=1S/C21H20FN3O3/c1-2-19-23-18-13-17(22)15(8-9-20(26)24-28)12-16(18)21(27)25(19)11-10-14-6-4-3-5-7-14/h3-9,12-13,28H,2,10-11H2,1H3,(H,24,26)/b9-8+
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| InChIKey |
NAMOJMZBPJZNOD-CMDGGOBGSA-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: PT00835, Histone deacetylase 2
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8