General Information of the Compound
| Compound ID |
CP0483827
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| Compound Name |
US9056843, 102
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| Structure |
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| Formula |
C13H13F3N4O3S
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| Molecular Weight |
362.333
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| Canonical SMILES |
FC(F)(F)c1nc(no1)-c1ccc(cc1)S(=O)(=O)N[C@@H]1CCNC1
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| InChI |
InChI=1S/C13H13F3N4O3S/c14-13(15,16)12-18-11(19-23-12)8-1-3-10(4-2-8)24(21,22)20-9-5-6-17-7-9/h1-4,9,17,20H,5-7H2/t9-/m1/s1
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| InChIKey |
AAWHMGOBZKUZOG-SECBINFHSA-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