General Information of the Compound
| Compound ID |
CP0548069
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| Compound Name |
4-[[[2-(benzylamino)-2-oxoethyl]-[2-(4-propan-2-ylphenyl)acetyl]amino]methyl]-N-hydroxybenzamide
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| Formula |
C28H31N3O4
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| Molecular Weight |
473.573
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| Canonical SMILES |
CC(C)c1ccc(CC(=O)N(CC(=O)NCc2ccccc2)Cc2ccc(cc2)C(=O)NO)cc1
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| InChI |
InChI=1S/C28H31N3O4/c1-20(2)24-12-8-21(9-13-24)16-27(33)31(18-23-10-14-25(15-11-23)28(34)30-35)19-26(32)29-17-22-6-4-3-5-7-22/h3-15,20,35H,16-19H2,1-2H3,(H,29,32)(H,30,34)
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| InChIKey |
BOQOVYAIEYDBSI-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