General Information of the Compound
| Compound ID |
CP0371225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(2,3-Dimethoxy-phenyl)-piperazin-1-yl]-2-[8-(4-methyl-piperazin-1-yl)-naphthalen-2-yloxy]-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36N4O4
|
||||||||||||||||||
| Molecular Weight |
504.631
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(N2CCN(CC2)C(=O)COc2ccc3cccc(N4CCN(C)CC4)c3c2)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36N4O4/c1-30-12-14-31(15-13-30)25-7-4-6-22-10-11-23(20-24(22)25)37-21-28(34)33-18-16-32(17-19-33)26-8-5-9-27(35-2)29(26)36-3/h4-11,20H,12-19,21H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHJZWCFGCZBIET-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D