General Information of the Compound
| Compound ID |
CP0533703
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| Compound Name |
N'-hydroxy-N-[1-(4-propan-2-ylpiperazin-1-yl)isoquinolin-7-yl]octanediamide
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| Structure |
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| Formula |
C24H35N5O3
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| Molecular Weight |
441.576
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| Canonical SMILES |
CC(C)N1CCN(CC1)c1nccc2ccc(NC(=O)CCCCCCC(=O)NO)cc12
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| InChI |
InChI=1S/C24H35N5O3/c1-18(2)28-13-15-29(16-14-28)24-21-17-20(10-9-19(21)11-12-25-24)26-22(30)7-5-3-4-6-8-23(31)27-32/h9-12,17-18,32H,3-8,13-16H2,1-2H3,(H,26,30)(H,27,31)
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| InChIKey |
KUEFYQRLDVPNAG-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