General Information of the Compound
| Compound ID |
CP0431475
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| Compound Name |
N-[1-(3-chloro-2-fluoroanilino)isoquinolin-7-yl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C23H24ClFN4O3
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| Molecular Weight |
458.921
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| Canonical SMILES |
ONC(=O)CCCCCCC(=O)Nc1ccc2ccnc(Nc3cccc(Cl)c3F)c2c1
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| InChI |
InChI=1S/C23H24ClFN4O3/c24-18-6-5-7-19(22(18)25)28-23-17-14-16(11-10-15(17)12-13-26-23)27-20(30)8-3-1-2-4-9-21(31)29-32/h5-7,10-14,32H,1-4,8-9H2,(H,26,28)(H,27,30)(H,29,31)
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| InChIKey |
LYWPEQFLYUJPIU-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