General Information of the Compound
| Compound ID |
CP0850796
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-N-(1-{2-[(Propan-2-yl)phenoxy]ethyl}piperidin-4-yl)-quinolinesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31N3O3S
|
||||||||||||||||||
| Molecular Weight |
453.608
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3ncccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N3O3S/c1-19(2)21-7-3-4-10-24(21)31-18-17-28-15-12-20(13-16-28)27-32(29,30)25-11-5-9-23-22(25)8-6-14-26-23/h3-11,14,19-20,27H,12-13,15-18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NPOLKMCQMGALNF-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor