General Information of the Compound
| Compound ID |
CP0548068
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| Compound Name |
N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,4-dimethylbenzamide
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| Formula |
C26H27N3O4
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| Molecular Weight |
445.519
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| Canonical SMILES |
Cc1ccc(C(=O)N(CC(=O)NCc2ccccc2)Cc2ccc(cc2)C(=O)NO)c(C)c1
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| InChI |
InChI=1S/C26H27N3O4/c1-18-8-13-23(19(2)14-18)26(32)29(16-21-9-11-22(12-10-21)25(31)28-33)17-24(30)27-15-20-6-4-3-5-7-20/h3-14,33H,15-17H2,1-2H3,(H,27,30)(H,28,31)
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| InChIKey |
ROBDTWJJKNBLJP-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: PT01213, Histone deacetylase 6