General Information of the Compound
| Compound ID |
CP0402658
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| Compound Name |
US9056843, 109
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| Structure |
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| Formula |
C15H9F4N3O3S
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| Molecular Weight |
387.314
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(n2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C15H9F4N3O3S/c16-10-3-5-11(6-4-10)22-26(23,24)12-7-1-9(2-8-12)13-20-14(25-21-13)15(17,18)19/h1-8,22H
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| InChIKey |
XBXBLIPKIMLSST-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