General Information of the Compound
| Compound ID |
CP0107804
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(2-(difluoromethoxy)phenyl)-1-(3-fluorophenyl)ethyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21F3N2O
|
||||||||||||||||||
| Molecular Weight |
350.384
|
||||||||||||||||||
| Canonical SMILES |
FC(F)Oc1ccccc1CC(N1CCNCC1)c1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21F3N2O/c20-16-6-3-5-14(12-16)17(24-10-8-23-9-11-24)13-15-4-1-2-7-18(15)25-19(21)22/h1-7,12,17,19,23H,8-11,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
BGJYOLBNUMRPNE-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