General Information of the Compound
| Compound ID |
CP0885339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((3,4-Dichlorophenyl)(propoxy)methyl)azetidine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H18Cl3NO
|
||||||||||||||||||
| Molecular Weight |
310.652
|
||||||||||||||||||
| Canonical SMILES |
CCCOC(c1ccc(Cl)c(Cl)c1)C1CNC1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H17Cl2NO.ClH/c1-2-5-17-13(10-7-16-8-10)9-3-4-11(14)12(15)6-9;/h3-4,6,10,13,16H,2,5,7-8H2,1H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CLYPRUFOUBOJEJ-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