General Information of the Compound
| Compound ID |
CP0453324
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27Cl2N3O4S
|
||||||||||||||||||
| Molecular Weight |
512.459
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)S(=O)(=O)NC(=O)c2ccccc2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27Cl2N3O4S/c24-21-7-6-20(16-22(21)25)32-19-10-12-27(13-11-19)18-8-14-28(15-9-18)33(30,31)26-23(29)17-4-2-1-3-5-17/h1-7,16,18-19H,8-15H2,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDPQHMHFTWVGGO-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2