General Information of the Compound
| Compound ID |
CP0909248
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| Compound Name |
(E)-3-(2-Ethyl-3-(4-fluorophenethyl)-4-oxo-3,4-dihydroquinazolin-7-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(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccc(F)cc1
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| InChI |
InChI=1S/C21H20FN3O3/c1-2-19-23-18-13-15(6-10-20(26)24-28)5-9-17(18)21(27)25(19)12-11-14-3-7-16(22)8-4-14/h3-10,13,28H,2,11-12H2,1H3,(H,24,26)/b10-6+
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| InChIKey |
HKISHKJJYBCZQL-UXBLZVDNSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000004 | SH-SY5Y | Homo sapiens (Human) | 1 |
| 1 |
EC50 > 25000 nM
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TI
LI
LO
TS
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