General Information of the Compound
| Compound ID |
CP0012097
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-fluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15FN4O3
|
||||||||||||||||||
| Molecular Weight |
354.341
|
||||||||||||||||||
| Canonical SMILES |
ONC(=O)c1ccc(CNC(=O)c2cc([nH]n2)-c2ccc(F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15FN4O3/c19-14-7-5-12(6-8-14)15-9-16(22-21-15)18(25)20-10-11-1-3-13(4-2-11)17(24)23-26/h1-9,26H,10H2,(H,20,25)(H,21,22)(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PANMZVOPZWWAGR-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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 = 38130 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 20220 nM
|
TI
LI
LO
TS
|
|