General Information of the Compound
| Compound ID |
CP0968035
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| Compound Name |
N-(4-(Hydroxycarbamoyl)benzyl)-3,5-dimethyl-N-(3-oxo-3-(p-tolylamino)propyl)benzamide
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| Structure |
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| Formula |
C27H29N3O4
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| Molecular Weight |
459.546
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| Canonical SMILES |
Cc1ccc(NC(=O)CCN(Cc2ccc(C(=O)NO)cc2)C(=O)c2cc(C)cc(C)c2)cc1
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| InChI |
InChI=1S/C27H29N3O4/c1-18-4-10-24(11-5-18)28-25(31)12-13-30(27(33)23-15-19(2)14-20(3)16-23)17-21-6-8-22(9-7-21)26(32)29-34/h4-11,14-16,34H,12-13,17H2,1-3H3,(H,28,31)(H,29,32)
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| InChIKey |
BNKSQBVDOVWOLC-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