General Information of the Compound
| Compound ID |
CP0469702
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,5-dichloro-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21Cl4N3O
|
||||||||||||||||||
| Molecular Weight |
461.22
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(Cl)cc(c1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21Cl4N3O/c21-15-11-14(12-16(22)13-15)20(28)25-5-2-6-26-7-9-27(10-8-26)18-4-1-3-17(23)19(18)24/h1,3-4,11-13H,2,5-10H2,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LUVMAYRSSOBTRV-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