General Information of the Compound
| Compound ID |
CP0435673
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| Compound Name |
4-[[2-[(4-fluorophenyl)sulfonyl-[(2,3,4,5,6-pentafluorophenyl)methyl]amino]acetyl]-methylamino]-N-hydroxybenzamide
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| Structure |
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| Formula |
C23H17F6N3O5S
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| Molecular Weight |
561.46
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| Canonical SMILES |
CN(C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1)c1ccc(cc1)C(=O)NO
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| InChI |
InChI=1S/C23H17F6N3O5S/c1-31(14-6-2-12(3-7-14)23(34)30-35)17(33)11-32(38(36,37)15-8-4-13(24)5-9-15)10-16-18(25)20(27)22(29)21(28)19(16)26/h2-9,35H,10-11H2,1H3,(H,30,34)
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| InChIKey |
CNONRNROPLOWNM-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: PT02410, Histone deacetylase 11
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000071 | MOLM-13 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 14100 nM
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TI
LI
LO
TS
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| CL000196 | MDA-MB-468 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 25000 nM
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TI
LI
LO
TS
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