General Information of the Compound
| Compound ID |
CP0666156
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| Compound Name |
(E)-3-(2-Ethyl-4-oxo-3-(3-phenylpropyl)-3,4-dihydroquinazolin-7-yl)-N-hydroxyacrylamide
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
CCc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCCc1ccccc1
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| InChI |
InChI=1S/C22H23N3O3/c1-2-20-23-19-15-17(11-13-21(26)24-28)10-12-18(19)22(27)25(20)14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,28H,2,6,9,14H2,1H3,(H,24,26)/b13-11+
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| InChIKey |
OSGSDDYIACXJCX-ACCUITESSA-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