General Information of the Compound
| Compound ID |
CP0443825
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| Compound Name |
US9056843, 114
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| Structure |
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| Formula |
C11H10F3N3O3S
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| Molecular Weight |
321.28
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C11H10F3N3O3S/c1-17(2)21(18,19)8-5-3-7(4-6-8)9-15-10(20-16-9)11(12,13)14/h3-6H,1-2H3
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| InChIKey |
BBWXDEFVCIBKHE-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: PT00994, Histone deacetylase 4
Protein ID: PT01213, Histone deacetylase 6