General Information of the Compound
| Compound ID |
CP0461524
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31N3O
|
||||||||||||||||||
| Molecular Weight |
437.587
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4cccnc4)CC3)cccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31N3O/c1-22-10-11-27-28(31-22)8-3-9-29(27)33-18-17-32-15-12-23(13-16-32)19-24-5-2-6-25(20-24)26-7-4-14-30-21-26/h2-11,14,20-21,23H,12-13,15-19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNFIDANQKZLHQF-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