General Information of the Compound
| Compound ID |
CP0422590
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| Compound Name |
US9056843, 61
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| Structure |
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| Formula |
C16H16F3N3O3
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| Molecular Weight |
355.316
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| Canonical SMILES |
OC1CCCCC1NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C16H16F3N3O3/c17-16(18,19)15-21-13(22-25-15)9-5-7-10(8-6-9)14(24)20-11-3-1-2-4-12(11)23/h5-8,11-12,23H,1-4H2,(H,20,24)
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| InChIKey |
PEVBMHBRFKTGBF-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