General Information of the Compound
| Compound ID |
CP0428723
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| Compound Name |
N-[1-[bis(2-methoxyethyl)amino]isoquinolin-7-yl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C23H34N4O5
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| Molecular Weight |
446.548
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| Canonical SMILES |
COCCN(CCOC)c1nccc2ccc(NC(=O)CCCCCCC(=O)NO)cc12
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| InChI |
InChI=1S/C23H34N4O5/c1-31-15-13-27(14-16-32-2)23-20-17-19(10-9-18(20)11-12-24-23)25-21(28)7-5-3-4-6-8-22(29)26-30/h9-12,17,30H,3-8,13-16H2,1-2H3,(H,25,28)(H,26,29)
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| InChIKey |
DQDJACHWFFEAQM-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