General Information of the Compound
| Compound ID |
CP0563418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29N3O3S
|
||||||||||||||||||
| Molecular Weight |
403.548
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29N3O3S/c1-17(2)20-7-3-4-8-21(20)27-15-14-24-12-9-18(10-13-24)23-28(25,26)19-6-5-11-22-16-19/h3-8,11,16-18,23H,9-10,12-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYOXIJBAXSXVOY-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: PT00941, 5-hydroxytryptamine receptor 7