General Information of the Compound
| Compound ID |
CP0467580
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| Compound Name |
US9056843, 116
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| Structure |
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| Formula |
C12H12F3N3O4S
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| Molecular Weight |
351.306
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| Canonical SMILES |
OCCCNS(=O)(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C12H12F3N3O4S/c13-12(14,15)11-17-10(18-22-11)8-2-4-9(5-3-8)23(20,21)16-6-1-7-19/h2-5,16,19H,1,6-7H2
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| InChIKey |
NJWYZTKOYPVYBP-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