General Information of the Compound
| Compound ID |
CP0475515
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| Compound Name |
tert-butyl N-[(4-tert-butylphenyl)methyl]-N-[4-(hydroxycarbamoyl)phenyl]carbamate
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| Structure |
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| Formula |
C23H30N2O4
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| Molecular Weight |
398.503
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| Canonical SMILES |
CC(C)(C)OC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO
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| InChI |
InChI=1S/C23H30N2O4/c1-22(2,3)18-11-7-16(8-12-18)15-25(21(27)29-23(4,5)6)19-13-9-17(10-14-19)20(26)24-28/h7-14,28H,15H2,1-6H3,(H,24,26)
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| InChIKey |
SZBZYDVFLPQCJT-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: PT02410, Histone deacetylase 11
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000071 | MOLM-13 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 10300 nM
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