General Information of the Compound
| Compound ID |
CP0448728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]sulfonylisoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30Cl2N4O2S
|
||||||||||||||||||
| Molecular Weight |
533.525
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(N2CCN(CCC3CCN(CC3)S(=O)(=O)c3cncc4ccccc34)CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30Cl2N4O2S/c27-23-6-3-7-24(26(23)28)31-16-14-30(15-17-31)11-8-20-9-12-32(13-10-20)35(33,34)25-19-29-18-21-4-1-2-5-22(21)25/h1-7,18-20H,8-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PSULQXVZBREQEA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor