General Information of the Compound
| Compound ID |
CP0476892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-chlorophenyl)sulfonyl-4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26Cl3N3O4S
|
||||||||||||||||||
| Molecular Weight |
546.904
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26Cl3N3O4S/c24-19-6-5-18(15-21(19)26)33-17-9-13-28(14-10-17)16-7-11-29(12-8-16)23(30)27-34(31,32)22-4-2-1-3-20(22)25/h1-6,15-17H,7-14H2,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OSUVEVWOPQLILG-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