General Information of the Compound
| Compound ID |
CP0866954
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(azepan-1-yl)ethyl)-3-m-tolylimidazolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H27N3O
|
||||||||||||||||||
| Molecular Weight |
301.434
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H27N3O/c1-16-7-6-8-17(15-16)21-14-13-20(18(21)22)12-11-19-9-4-2-3-5-10-19/h6-8,15H,2-5,9-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQISIMYBHGTURV-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