General Information of the Compound
| Compound ID |
CP0011193
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| Compound Name |
3-(4-fluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C17H21FN4O3
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| Molecular Weight |
348.378
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| Canonical SMILES |
ONC(=O)CCCCCCNC(=O)c1cc([nH]n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C17H21FN4O3/c18-13-8-6-12(7-9-13)14-11-15(21-20-14)17(24)19-10-4-2-1-3-5-16(23)22-25/h6-9,11,25H,1-5,10H2,(H,19,24)(H,20,21)(H,22,23)
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| InChIKey |
GLUNWMQGDQEBAS-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 = 23170 nM
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TI
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LO
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