General Information of the Compound
| Compound ID |
CP0054654
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(4-chloro-3-fluorophenyl)-2-(3-fluorophenoxy)ethyl]azetidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16ClF2NO
|
||||||||||||||||||
| Molecular Weight |
323.77
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16ClF2NO/c18-15-5-4-12(7-16(15)20)17(6-11-9-21-10-11)22-14-3-1-2-13(19)8-14/h1-5,7-8,11,17,21H,6,9-10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAJZURBQJLCEQE-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter