General Information of the Compound
| Compound ID |
CP0201568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20F3N3O2
|
||||||||||||||||||
| Molecular Weight |
391.393
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1cccc(c1)N1CCN(CCN2Cc3ccccc3C2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20F3N3O2/c21-20(22,23)28-18-7-3-6-17(12-18)26-11-10-25(19(26)27)9-8-24-13-15-4-1-2-5-16(15)14-24/h1-7,12H,8-11,13-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZWBIIYBHVNHQOG-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