General Information of the Compound
| Compound ID |
CP0457498
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-fluorophenyl)-4-(2-naphthalen-2-yloxyethyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23FN2O
|
||||||||||||||||||
| Molecular Weight |
350.437
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)N1CCN(CCOc2ccc3ccccc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23FN2O/c23-20-6-8-21(9-7-20)25-13-11-24(12-14-25)15-16-26-22-10-5-18-3-1-2-4-19(18)17-22/h1-10,17H,11-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQMIUVZDGJPODV-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter