General Information of the Compound
| Compound ID |
CP0406887
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| Compound Name |
US9056843, 117
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| Structure |
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| Formula |
C21H20F4N4O2
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| Molecular Weight |
436.409
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| Canonical SMILES |
CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C21H20F4N4O2/c1-29(2)12-15(10-13-6-4-3-5-7-13)26-19(30)16-9-8-14(11-17(16)22)18-27-20(31-28-18)21(23,24)25/h3-9,11,15H,10,12H2,1-2H3,(H,26,30)/t15-/m0/s1
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| InChIKey |
IIXGHCJWHUQEEN-HNNXBMFYSA-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