General Information of the Compound
| Compound ID |
CP0518202
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| Compound Name |
US9056843, 43
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| Structure |
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| Formula |
C22H20F3N3O2
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| Molecular Weight |
415.415
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| Canonical SMILES |
FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C22H20F3N3O2/c23-22(24,25)21-26-19(27-30-21)17-6-8-18(9-7-17)20(29)28-12-10-16(11-13-28)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2
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| InChIKey |
YLBCXOIFKCBADR-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