General Information of the Compound
| Compound ID |
CP0467557
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| Compound Name |
US9056843, 157
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| Structure |
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| Formula |
C13H13F3N4O2
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| Molecular Weight |
314.267
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| Canonical SMILES |
CNCCNC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C13H13F3N4O2/c1-17-6-7-18-11(21)9-4-2-8(3-5-9)10-19-12(22-20-10)13(14,15)16/h2-5,17H,6-7H2,1H3,(H,18,21)
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| InChIKey |
CNYMWZQRODJNQU-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