General Information of the Compound
| Compound ID |
CP0057110
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| Compound Name |
4-[[butyl(phenylcarbamoyl)amino]methyl]-N-hydroxybenzamide
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| Synonyms |
S7473
nexturastat A
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| Structure |
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| Formula |
C19H23N3O3
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| Molecular Weight |
341.411
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| Canonical SMILES |
CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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| InChIKey |
JZWXMCPARMXZQV-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
Cell-based Assay
Protein ID: PT02410, Histone deacetylase 11
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT00996, Histone deacetylase 5
Protein ID: PT01213, Histone deacetylase 6
Cell-based Assay
Protein ID: PT01807, Histone deacetylase 7
Protein ID: PT01499, Histone deacetylase 8
Protein ID: PT01946, Histone deacetylase 9
Protein ID: PT01443, Polyamine deacetylase HDAC10
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000444 | 697 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 401 nM
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LO
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Clinical Information about the Compound