General Information of the Compound
| Compound ID |
CP0431456
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| Compound Name |
N-[2-[(2,4-dimethoxyphenyl)methyl]-1-oxoisoquinolin-7-yl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C26H31N3O6
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| Molecular Weight |
481.549
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| Canonical SMILES |
COc1ccc(Cn2ccc3ccc(NC(=O)CCCCCCC(=O)NO)cc3c2=O)c(OC)c1
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| InChI |
InChI=1S/C26H31N3O6/c1-34-21-12-10-19(23(16-21)35-2)17-29-14-13-18-9-11-20(15-22(18)26(29)32)27-24(30)7-5-3-4-6-8-25(31)28-33/h9-16,33H,3-8,17H2,1-2H3,(H,27,30)(H,28,31)
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| InChIKey |
GIKBCAFOYUWQMO-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