General Information of the Compound
| Compound ID |
CP0455453
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| Compound Name |
N-hydroxy-4-[(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide
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| Structure |
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| Formula |
C24H21N3O5
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| Molecular Weight |
431.448
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| Canonical SMILES |
ONC(=O)c1ccc(CN2C(=O)c3cccc4c(ccc(C2=O)c34)N2CCOCC2)cc1
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| InChI |
InChI=1S/C24H21N3O5/c28-22(25-31)16-6-4-15(5-7-16)14-27-23(29)18-3-1-2-17-20(26-10-12-32-13-11-26)9-8-19(21(17)18)24(27)30/h1-9,31H,10-14H2,(H,25,28)
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| InChIKey |
AHBZRNHYXZOOBT-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: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6