General Information of the Compound
| Compound ID |
CP0443823
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| Compound Name |
US9056843, 7
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| Structure |
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| Formula |
C14H14F3N3O3
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| Molecular Weight |
329.278
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| Canonical SMILES |
COCCNC(=O)Cc1ccc(cc1)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C14H14F3N3O3/c1-22-7-6-18-11(21)8-9-2-4-10(5-3-9)12-19-13(23-20-12)14(15,16)17/h2-5H,6-8H2,1H3,(H,18,21)
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| InChIKey |
OLHZABUSLVLNQH-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