General Information of the Compound
| Compound ID |
CP0569927
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]piperazin-1-yl]pyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28Cl2N6
|
||||||||||||||||||
| Molecular Weight |
459.425
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(N2CCN(CCCN3CCN(CC3)c3ncccc3C#N)CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28Cl2N6/c24-20-5-1-6-21(22(20)25)30-14-10-28(11-15-30)8-3-9-29-12-16-31(17-13-29)23-19(18-26)4-2-7-27-23/h1-2,4-7H,3,8-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTVQLAGHMGMPSS-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 | |||||||||||||||||||
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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor