General Information of the Compound
| Compound ID |
CP0450527
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| Compound Name |
US9056843, 124
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| Structure |
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| Formula |
C15H15F5N4O2
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| Molecular Weight |
378.301
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| Canonical SMILES |
C[C@H](CN(C)C)NC(=O)c1c(F)cc(cc1F)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C15H15F5N4O2/c1-7(6-24(2)3)21-13(25)11-9(16)4-8(5-10(11)17)12-22-14(26-23-12)15(18,19)20/h4-5,7H,6H2,1-3H3,(H,21,25)/t7-/m1/s1
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| InChIKey |
MSPYLYCWIAXLPK-SSDOTTSWSA-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