General Information of the Compound
| Compound ID |
CP0107803
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-(2-fluorophenyl)-2-(2-methoxyphenyl)ethyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23FN2O
|
||||||||||||||||||
| Molecular Weight |
314.404
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1CC(N1CCNCC1)c1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23FN2O/c1-23-19-9-5-2-6-15(19)14-18(22-12-10-21-11-13-22)16-7-3-4-8-17(16)20/h2-9,18,21H,10-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CLUGYQSXBJPTPD-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter