General Information of the Compound
| Compound ID |
CP0380504
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| Compound Name |
N-[1-(4-bromo-2-fluoroanilino)isoquinolin-7-yl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C23H24BrFN4O3
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| Molecular Weight |
503.372
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| Canonical SMILES |
ONC(=O)CCCCCCC(=O)Nc1ccc2ccnc(Nc3ccc(Br)cc3F)c2c1
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| InChI |
InChI=1S/C23H24BrFN4O3/c24-16-8-10-20(19(25)13-16)28-23-18-14-17(9-7-15(18)11-12-26-23)27-21(30)5-3-1-2-4-6-22(31)29-32/h7-14,32H,1-6H2,(H,26,28)(H,27,30)(H,29,31)
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| InChIKey |
DFKQAHYOXDWTAQ-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2