General Information of the Compound
| Compound ID |
CP0473602
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| Compound Name |
US9056843, 75
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| Structure |
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| Formula |
C15H8ClF3N4O2
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| Molecular Weight |
368.702
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| Canonical SMILES |
FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)Nc1ccnc(Cl)c1
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| InChI |
InChI=1S/C15H8ClF3N4O2/c16-11-7-10(5-6-20-11)21-13(24)9-3-1-8(2-4-9)12-22-14(25-23-12)15(17,18)19/h1-7H,(H,20,21,24)
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| InChIKey |
KQNUAZJWXAWJGE-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