General Information of the Compound
| Compound ID |
CP0500366
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| Compound Name |
US9056843, 92
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| Structure |
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| Formula |
C21H21F3N4O2
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| Molecular Weight |
418.419
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| Canonical SMILES |
CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N4O2/c1-28(2)13-17(12-14-6-4-3-5-7-14)25-19(29)16-10-8-15(9-11-16)18-26-20(30-27-18)21(22,23)24/h3-11,17H,12-13H2,1-2H3,(H,25,29)/t17-/m1/s1
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| InChIKey |
OKQODVVBOYRGOX-QGZVFWFLSA-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