General Information of the Compound
| Compound ID |
CP0846830
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-1-(3,5-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-propan-1-one oxime
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N4O
|
||||||||||||||||||
| Molecular Weight |
338.455
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)cc(/C(CCN2CCN(c3ccccn3)CC2)=N/O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N4O/c1-16-13-17(2)15-18(14-16)19(22-25)6-8-23-9-11-24(12-10-23)20-5-3-4-7-21-20/h3-5,7,13-15,25H,6,8-12H2,1-2H3/b22-19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YIDRYULBPCZKFJ-ZBJSNUHESA-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