General Information of the Compound
| Compound ID |
CP0950659
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3,4-Dichlorophenyl)-N,N-dimethyl-3-(piperazin-1-yl)propan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H23Cl2N3
|
||||||||||||||||||
| Molecular Weight |
316.276
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H23Cl2N3/c1-19(2)8-5-15(20-9-6-18-7-10-20)12-3-4-13(16)14(17)11-12/h3-4,11,15,18H,5-10H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWFPZMNSOVHJBG-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter