General Information of the Compound
| Compound ID |
CP0101858
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-(4-Dibutylamino-phenyl)-meth-(Z)-ylidene]-3-phenyl-4H-isoxazol-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N2O2
|
||||||||||||||||||
| Molecular Weight |
376.5
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(CCCC)c1ccc(\C=C2/C(=O)ON=C2c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N2O2/c1-3-5-16-26(17-6-4-2)21-14-12-19(13-15-21)18-22-23(25-28-24(22)27)20-10-8-7-9-11-20/h7-15,18H,3-6,16-17H2,1-2H3/b22-18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZGPSGPFMNBCJZ-PYCFMQQDSA-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