General Information of the Compound
| Compound ID |
CP0458090
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-one O-ethyloxime
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29N3O2
|
||||||||||||||||||
| Molecular Weight |
367.493
|
||||||||||||||||||
| Canonical SMILES |
CCO\N=C(/CCN1CCN(CC1)c1ccccc1OC)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29N3O2/c1-3-27-23-20(19-9-5-4-6-10-19)13-14-24-15-17-25(18-16-24)21-11-7-8-12-22(21)26-2/h4-12H,3,13-18H2,1-2H3/b23-20+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RRLXSFARLGMETD-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