General Information of the Compound
| Compound ID |
CP0073333
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-benzenesulfonyl-8-piperazin-1-ylquinoline
Show/Hide
|
||||||||||||||||||
| Synonyms |
3-(benzenesulfonyl)-8-piperazin-1-yl-quinoline
GSK 742457
GSK-742457
SB 742457
SB-742457
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N3O2S
|
||||||||||||||||||
| Molecular Weight |
353.447
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JJZFWROHYSMCMU-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
607742-69-8
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| DrugBank 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
Cell-based Assay
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Clinical Information about the Compound