General Information of the Compound
| Compound ID |
CP0537825
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| Compound Name |
4-[[[1-(benzylamino)-2-methyl-1-oxopropan-2-yl]-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide
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| Formula |
C29H33N3O4
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| Molecular Weight |
487.6
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| Canonical SMILES |
CC(C)c1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(=O)NO)C(C)(C)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C29H33N3O4/c1-20(2)23-14-16-25(17-15-23)27(34)32(19-22-10-12-24(13-11-22)26(33)31-36)29(3,4)28(35)30-18-21-8-6-5-7-9-21/h5-17,20,36H,18-19H2,1-4H3,(H,30,35)(H,31,33)
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| InChIKey |
XNIKJBLQDSLDOQ-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