General Information of the Compound
| Compound ID |
CP0013640
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| Compound Name |
4-[[5-(4-fluorophenyl)-3-propylpyrazol-1-yl]methyl]-N-hydroxybenzamide
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| Structure |
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| Formula |
C20H20FN3O2
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| Molecular Weight |
353.397
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| Canonical SMILES |
CCCc1cc(-c2ccc(F)cc2)n(Cc2ccc(cc2)C(=O)NO)n1
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| InChI |
InChI=1S/C20H20FN3O2/c1-2-3-18-12-19(15-8-10-17(21)11-9-15)24(22-18)13-14-4-6-16(7-5-14)20(25)23-26/h4-12,26H,2-3,13H2,1H3,(H,23,25)
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| InChIKey |
VUUBTCJBUQTICZ-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: PT00835, Histone deacetylase 2
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 | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 16030 nM
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TI
LI
LO
TS
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