General Information of the Compound
| Compound ID |
CP0549934
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| Compound Name |
US9056843, 129
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| Structure |
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| Formula |
C18H20F4N4O2
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| Molecular Weight |
400.376
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| Canonical SMILES |
C[C@H](CN1CCCCC1)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C18H20F4N4O2/c1-11(10-26-7-3-2-4-8-26)23-16(27)13-6-5-12(9-14(13)19)15-24-17(28-25-15)18(20,21)22/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,23,27)/t11-/m1/s1
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| InChIKey |
OHIUPIMOMLQZKN-LLVKDONJSA-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