General Information of the Compound
| Compound ID |
CP0168336
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]-1-[4-(2,4,6-trimethyl-phenyl)-piperazin-1-yl]-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H38N4O2
|
||||||||||||||||||
| Molecular Weight |
486.66
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3c(C)cc(C)cc3C)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38N4O2/c1-22-18-23(2)30(24(3)19-22)34-16-14-33(15-17-34)29(35)21-36-26-9-8-25-6-5-7-28(27(25)20-26)32-12-10-31(4)11-13-32/h5-9,18-20H,10-17,21H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CPPNLMBHDVESPV-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