General Information of the Compound
| Compound ID |
CP0010901
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| Compound Name |
N'-hydroxy-N-[3-[2-(5,6,7-trimethoxyindol-1-yl)ethoxy]phenyl]octanediamide
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| Structure |
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| Formula |
C27H35N3O7
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| Molecular Weight |
513.591
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| Canonical SMILES |
COc1cc2ccn(CCOc3cccc(NC(=O)CCCCCCC(=O)NO)c3)c2c(OC)c1OC
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| InChI |
InChI=1S/C27H35N3O7/c1-34-22-17-19-13-14-30(25(19)27(36-3)26(22)35-2)15-16-37-21-10-8-9-20(18-21)28-23(31)11-6-4-5-7-12-24(32)29-33/h8-10,13-14,17-18,33H,4-7,11-12,15-16H2,1-3H3,(H,28,31)(H,29,32)
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| InChIKey |
SFICPVORFVXNPV-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