General Information of the Compound
| Compound ID |
CP0413178
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| Compound Name |
US9056843, 5
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| Structure |
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| Formula |
C14H14F3N3O2
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| Molecular Weight |
313.279
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| Canonical SMILES |
CC(C)NC(=O)Cc1ccc(cc1)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C14H14F3N3O2/c1-8(2)18-11(21)7-9-3-5-10(6-4-9)12-19-13(22-20-12)14(15,16)17/h3-6,8H,7H2,1-2H3,(H,18,21)
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| InChIKey |
MLBIBJOCXAUCPH-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