General Information of the Compound
| Compound ID |
CP0001838
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| Compound Name |
N-[4-[2-(5,6-dimethoxyindol-1-yl)ethoxy]phenyl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C26H33N3O6
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| Molecular Weight |
483.565
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| Canonical SMILES |
COc1cc2ccn(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)c2cc1OC
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| InChI |
InChI=1S/C26H33N3O6/c1-33-23-17-19-13-14-29(22(19)18-24(23)34-2)15-16-35-21-11-9-20(10-12-21)27-25(30)7-5-3-4-6-8-26(31)28-32/h9-14,17-18,32H,3-8,15-16H2,1-2H3,(H,27,30)(H,28,31)
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| InChIKey |
RKKAAKVIUVYFTF-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: PT00835, Histone deacetylase 2
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT01807, Histone deacetylase 7
Protein ID: PT01499, Histone deacetylase 8
Protein ID: PT01946, Histone deacetylase 9
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1200 nM
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TI
LI
LO
TS
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