General Information of the Compound
| Compound ID |
CP0435107
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| Compound Name |
US9056843, 42
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| Structure |
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| Formula |
C20H17F3N4O2
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| Molecular Weight |
402.376
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| Canonical SMILES |
FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C20H17F3N4O2/c21-20(22,23)19-24-17(25-29-19)14-6-8-15(9-7-14)18(28)27-12-10-26(11-13-27)16-4-2-1-3-5-16/h1-9H,10-13H2
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| InChIKey |
YROWRZJBWQXKEN-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