General Information of the Compound
| Compound ID |
CP0417641
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| Compound Name |
4-[(4-tert-butylphenyl)methyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-hydroxybenzamide
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| Structure |
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| Formula |
C26H28FN3O5S
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| Molecular Weight |
513.591
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| Canonical SMILES |
CC(C)(C)c1ccc(CN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)c2ccc(cc2)C(=O)NO)cc1
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| InChI |
InChI=1S/C26H28FN3O5S/c1-26(2,3)20-8-4-18(5-9-20)17-30(22-12-6-19(7-13-22)25(32)29-33)24(31)16-28-36(34,35)23-14-10-21(27)11-15-23/h4-15,28,33H,16-17H2,1-3H3,(H,29,32)
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| InChIKey |
JXKKJJUGFLVTAG-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: PT02410, Histone deacetylase 11
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8