General Information of the Compound
| Compound ID |
CP0490994
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| Compound Name |
N-[2-(benzylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
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| Formula |
C28H25N3O4
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| Molecular Weight |
467.525
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| Canonical SMILES |
ONC(=O)c1ccc(CN(CC(=O)NCc2ccccc2)C(=O)c2cccc3ccccc23)cc1
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| InChI |
InChI=1S/C28H25N3O4/c32-26(29-17-20-7-2-1-3-8-20)19-31(18-21-13-15-23(16-14-21)27(33)30-35)28(34)25-12-6-10-22-9-4-5-11-24(22)25/h1-16,35H,17-19H2,(H,29,32)(H,30,33)
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| InChIKey |
CAQWEFXQNVGTIF-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