General Information of the Compound
| Compound ID |
CP0395338
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-isopropyloxime
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28N4O
|
||||||||||||||||||
| Molecular Weight |
352.482
|
||||||||||||||||||
| Canonical SMILES |
CC(C)O\N=C(/CCN1CCN(CC1)c1ccccn1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28N4O/c1-18(2)26-23-20(19-8-4-3-5-9-19)11-13-24-14-16-25(17-15-24)21-10-6-7-12-22-21/h3-10,12,18H,11,13-17H2,1-2H3/b23-20+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXGMOFVEMKIYBL-BSYVCWPDSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor