General Information of the Compound
| Compound ID |
CP0547672
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| Compound Name |
N-[2-(tert-butylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide
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| Structure |
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| Formula |
C22H27N3O4
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| Molecular Weight |
397.475
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| Canonical SMILES |
Cc1ccccc1C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1)C(=O)NO
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| InChI |
InChI=1S/C22H27N3O4/c1-15-7-5-6-8-18(15)21(28)25(14-19(26)23-22(2,3)4)13-16-9-11-17(12-10-16)20(27)24-29/h5-12,29H,13-14H2,1-4H3,(H,23,26)(H,24,27)
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| InChIKey |
HRMXRSPDEBHVSW-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