General Information of the Compound
| Compound ID |
CP0012488
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| Compound Name |
3-[1-(4-ethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-hydroxypropanamide
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| Structure |
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| Formula |
C20H24N2O3
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| Molecular Weight |
340.423
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| Canonical SMILES |
CCOc1ccc(cc1)C1N(CCC(=O)NO)CCc2ccccc12
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| InChI |
InChI=1S/C20H24N2O3/c1-2-25-17-9-7-16(8-10-17)20-18-6-4-3-5-15(18)11-13-22(20)14-12-19(23)21-24/h3-10,20,24H,2,11-14H2,1H3,(H,21,23)
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| InChIKey |
DDEWIBSZGWCKDX-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: PT00835, Histone deacetylase 2