General Information of the Compound
| Compound ID |
CP0477980
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33ClN4O4
|
||||||||||||||||||
| Molecular Weight |
489.016
|
||||||||||||||||||
| Canonical SMILES |
Cl.CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N4O4.ClH/c1-3-33-22-12-8-7-11-21(22)28-15-13-27(14-16-28)17-20(30)18-29-23(31)25(2,26-24(29)32)19-9-5-4-6-10-19;/h4-12,20,30H,3,13-18H2,1-2H3,(H,26,32);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLKUAUPLKWGNNK-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor