General Information of the Compound
| Compound ID |
CP0438233
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| Compound Name |
US9056843, 54
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| Structure |
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| Formula |
C14H12F3N3O3
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| Molecular Weight |
327.262
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| Canonical SMILES |
OC1CCN(C1)C(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C14H12F3N3O3/c15-14(16,17)13-18-11(19-23-13)8-1-3-9(4-2-8)12(22)20-6-5-10(21)7-20/h1-4,10,21H,5-7H2
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| InChIKey |
JVBZAWBETPLJQP-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