General Information of the Compound
| Compound ID |
CP0013329
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| Compound Name |
N'-hydroxy-N-[4-[2-(5-methoxyindol-1-yl)ethoxy]phenyl]octanediamide
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| Structure |
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| Formula |
C25H31N3O5
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| Molecular Weight |
453.539
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| Canonical SMILES |
COc1ccc2n(CCOc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)ccc2c1
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| InChI |
InChI=1S/C25H31N3O5/c1-32-22-12-13-23-19(18-22)14-15-28(23)16-17-33-21-10-8-20(9-11-21)26-24(29)6-4-2-3-5-7-25(30)27-31/h8-15,18,31H,2-7,16-17H2,1H3,(H,26,29)(H,27,30)
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| InChIKey |
YBBZZJRLVFMWIZ-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