General Information of the Compound
| Compound ID |
CP0417090
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]benzo[de]isoquinoline-1,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33N3O3
|
||||||||||||||||||
| Molecular Weight |
471.601
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33N3O3/c1-35-26-15-5-4-14-25(26)31-20-18-30(19-21-31)16-6-2-3-7-17-32-28(33)23-12-8-10-22-11-9-13-24(27(22)23)29(32)34/h4-5,8-15H,2-3,6-7,16-21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBMAVWKQHQVNAR-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor