General Information of the Compound
| Compound ID |
CP0545423
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| Compound Name |
4-[[[2-(tert-butylamino)-2-oxoethyl]-(3,5-dimethylbenzoyl)amino]methyl]-3-fluoro-N-hydroxybenzamide
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| Structure |
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| Formula |
C23H28FN3O4
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| Molecular Weight |
429.492
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| Canonical SMILES |
Cc1cc(C)cc(c1)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1F)C(=O)NO
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| InChI |
InChI=1S/C23H28FN3O4/c1-14-8-15(2)10-18(9-14)22(30)27(13-20(28)25-23(3,4)5)12-17-7-6-16(11-19(17)24)21(29)26-31/h6-11,31H,12-13H2,1-5H3,(H,25,28)(H,26,29)
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| InChIKey |
LIGKRRKHAZHXEC-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