General Information of the Compound
| Compound ID |
CP0495732
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-N-[1-[2-(2-cyclopentylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
463.043
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)NC1CCN(CCOc2ccccc2C2CCCC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31ClN2O3S/c25-20-8-5-9-22(18-20)31(28,29)26-21-12-14-27(15-13-21)16-17-30-24-11-4-3-10-23(24)19-6-1-2-7-19/h3-5,8-11,18-19,21,26H,1-2,6-7,12-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKNHWMIAOJCVSI-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