General Information of the Compound
| Compound ID |
CP0380505
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| Compound Name |
N'-hydroxy-N-[1-(naphthalen-2-ylamino)isoquinolin-7-yl]octanediamide
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| Structure |
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| Formula |
C27H28N4O3
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| Molecular Weight |
456.546
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| Canonical SMILES |
ONC(=O)CCCCCCC(=O)Nc1ccc2ccnc(Nc3ccc4ccccc4c3)c2c1
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| InChI |
InChI=1S/C27H28N4O3/c32-25(9-3-1-2-4-10-26(33)31-34)29-23-14-12-20-15-16-28-27(24(20)18-23)30-22-13-11-19-7-5-6-8-21(19)17-22/h5-8,11-18,34H,1-4,9-10H2,(H,28,30)(H,29,32)(H,31,33)
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| InChIKey |
HUKJAHRJEYMMCE-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