General Information of the Compound
| Compound ID |
CP0012873
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| Compound Name |
4-[[[2-(tert-butylamino)-2-oxoethyl]-(2-propan-2-ylbenzoyl)amino]methyl]-3-fluoro-N-hydroxybenzamide
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| Structure |
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| Formula |
C24H30FN3O4
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| Molecular Weight |
443.519
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| Canonical SMILES |
CC(C)c1ccccc1C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1F)C(=O)NO
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| InChI |
InChI=1S/C24H30FN3O4/c1-15(2)18-8-6-7-9-19(18)23(31)28(14-21(29)26-24(3,4)5)13-17-11-10-16(12-20(17)25)22(30)27-32/h6-12,15,32H,13-14H2,1-5H3,(H,26,29)(H,27,30)
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| InChIKey |
ICGXHGQIMMAKJH-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: PT00835, Histone deacetylase 2
Protein ID: PT00994, Histone deacetylase 4