General Information of the Compound
| Compound ID |
CP0423843
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| Compound Name |
US9056843, 148
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| Structure |
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| Formula |
C17H18F4N4O3
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| Molecular Weight |
402.348
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| Canonical SMILES |
C[C@H](CN1CCOCC1)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C17H18F4N4O3/c1-10(9-25-4-6-27-7-5-25)22-15(26)12-3-2-11(8-13(12)18)14-23-16(28-24-14)17(19,20)21/h2-3,8,10H,4-7,9H2,1H3,(H,22,26)/t10-/m1/s1
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| InChIKey |
ZSFASTLMALEKOU-SNVBAGLBSA-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