General Information of the Compound
| Compound ID |
CP0012287
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| Compound Name |
3-(4-fluorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C16H19FN4O3
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| Molecular Weight |
334.351
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| Canonical SMILES |
ONC(=O)CCCCCNC(=O)c1cc([nH]n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C16H19FN4O3/c17-12-7-5-11(6-8-12)13-10-14(20-19-13)16(23)18-9-3-1-2-4-15(22)21-24/h5-8,10,24H,1-4,9H2,(H,18,23)(H,19,20)(H,21,22)
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| InChIKey |
YLGBRUQGBLZQNQ-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 | |
| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 47580 nM
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LO
TS
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| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 7090 nM
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TI
LI
LO
TS
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