General Information of the Compound
| Compound ID |
CP0276134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-fluoro-5-[2-oxo-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]imidazolidin-1-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H26FN5O
|
||||||||||||||||||
| Molecular Weight |
359.449
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCN(CCN2CCN(C2=O)c2ccc(F)c(c2)C#N)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H26FN5O/c1-15(2)23-8-5-22(6-9-23)7-10-24-11-12-25(19(24)26)17-3-4-18(20)16(13-17)14-21/h3-4,13,15H,5-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDVCLZNNONYWDK-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor