General Information of the Compound
| Compound ID |
CP0003094
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| Compound Name |
3-(4-fluorophenyl)-N-[4-(hydroxyamino)-4-oxobutyl]-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C14H15FN4O3
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| Molecular Weight |
306.297
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| Canonical SMILES |
ONC(=O)CCCNC(=O)c1cc([nH]n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C14H15FN4O3/c15-10-5-3-9(4-6-10)11-8-12(18-17-11)14(21)16-7-1-2-13(20)19-22/h3-6,8,22H,1-2,7H2,(H,16,21)(H,17,18)(H,19,20)
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| InChIKey |
JFRNSEVHKFBZMV-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