General Information of the Compound
| Compound ID |
CP0510173
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(2-bromo-5-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylethyl)piperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28BrNO
|
||||||||||||||||||
| Molecular Weight |
438.409
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Br)c(CC2CCN(CCc3cccc4ccccc34)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28BrNO/c1-28-23-9-10-25(26)22(18-23)17-19-11-14-27(15-12-19)16-13-21-7-4-6-20-5-2-3-8-24(20)21/h2-10,18-19H,11-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GHIRBHRKFPSBGT-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: PT00871, Sodium-dependent serotonin transporter