General Information of the Compound
| Compound ID |
CP0428528
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| Compound Name |
N'-hydroxy-N-(1-morpholin-4-ylisoquinolin-7-yl)octanediamide
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| Structure |
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| Formula |
C21H28N4O4
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| Molecular Weight |
400.479
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| Canonical SMILES |
ONC(=O)CCCCCCC(=O)Nc1ccc2ccnc(N3CCOCC3)c2c1
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| InChI |
InChI=1S/C21H28N4O4/c26-19(5-3-1-2-4-6-20(27)24-28)23-17-8-7-16-9-10-22-21(18(16)15-17)25-11-13-29-14-12-25/h7-10,15,28H,1-6,11-14H2,(H,23,26)(H,24,27)
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| InChIKey |
DTLWMGPSWXSCIY-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
Cell Viability or Cytotoxicity Assay