General Information of the Compound
| Compound ID |
CP0571058
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| Compound Name |
4-[[[2-(cyclohexylamino)-2-oxoethyl]-(3,5-dimethylbenzoyl)amino]methyl]-3-fluoro-N-hydroxybenzamide
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| Structure |
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| Formula |
C25H30FN3O4
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| Molecular Weight |
455.53
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| Canonical SMILES |
Cc1cc(C)cc(c1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1F)C(=O)NO
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| InChI |
InChI=1S/C25H30FN3O4/c1-16-10-17(2)12-20(11-16)25(32)29(15-23(30)27-21-6-4-3-5-7-21)14-19-9-8-18(13-22(19)26)24(31)28-33/h8-13,21,33H,3-7,14-15H2,1-2H3,(H,27,30)(H,28,31)
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| InChIKey |
JOVQNXRQXIPSSH-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