General Information of the Compound
| Compound ID |
CP0467561
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| Compound Name |
US9056843, 64
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| Structure |
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| Formula |
C17H17F3N4O3
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| Molecular Weight |
382.342
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| Canonical SMILES |
CC(=O)N1CCC(CC1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C17H17F3N4O3/c1-10(25)24-8-6-13(7-9-24)21-15(26)12-4-2-11(3-5-12)14-22-16(27-23-14)17(18,19)20/h2-5,13H,6-9H2,1H3,(H,21,26)
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| InChIKey |
PDVOQWPQBJPSGT-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