General Information of the Compound
| Compound ID |
CP0156518
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-chloro-2-methoxyphenoxy)-N,N-dimethyl-3-(methylaminomethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21ClN2O3
|
||||||||||||||||||
| Molecular Weight |
348.83
|
||||||||||||||||||
| Canonical SMILES |
CNCc1cc(ccc1Oc1ccc(Cl)cc1OC)C(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21ClN2O3/c1-20-11-13-9-12(18(22)21(2)3)5-7-15(13)24-16-8-6-14(19)10-17(16)23-4/h5-10,20H,11H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJNSSHGTSILZGM-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