General Information of the Compound
| Compound ID |
CP0380528
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| Compound Name |
N'-hydroxy-N-[1-(3-methoxypropylamino)isoquinolin-7-yl]octanediamide
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| Structure |
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| Formula |
C21H30N4O4
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| Molecular Weight |
402.495
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| Canonical SMILES |
COCCCNc1nccc2ccc(NC(=O)CCCCCCC(=O)NO)cc12
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| InChI |
InChI=1S/C21H30N4O4/c1-29-14-6-12-22-21-18-15-17(10-9-16(18)11-13-23-21)24-19(26)7-4-2-3-5-8-20(27)25-28/h9-11,13,15,28H,2-8,12,14H2,1H3,(H,22,23)(H,24,26)(H,25,27)
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| InChIKey |
MGLLPZGTTQFMEG-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