General Information of the Compound
| Compound ID |
CP0013808
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Methyl-3-(2-nitro-phenyl)-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N4O4
|
||||||||||||||||||
| Molecular Weight |
394.431
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)c2c(n[o+][c-]2C)-c2ccccc2[N+]([O-])=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N4O4/c1-4-24(5-2)16-12-10-15(11-13-16)22-21(26)19-14(3)29-23-20(19)17-8-6-7-9-18(17)25(27)28/h6-13H,4-5H2,1-3H3,(H,22,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOVHCAVTBXDSSR-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