General Information of the Compound
| Compound ID |
CP0478024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-(2-methoxyphenyl)piperazin-1-yl)(3-phenylisoxazol-5-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N3O3
|
||||||||||||||||||
| Molecular Weight |
363.417
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)c1cc(no1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N3O3/c1-26-19-10-6-5-9-18(19)23-11-13-24(14-12-23)21(25)20-15-17(22-27-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDOQIKVMBMHLNV-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