General Information of the Compound
| Compound ID |
CP0862516
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-(4-(6-butylquinolin-8-yloxy)piperidin-1-yl)ethyl)ethanesulfonamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H35Cl2N3O3S
|
||||||||||||||||||
| Molecular Weight |
492.513
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1cc(OC2CCN(CCNS(=O)(=O)CC)CC2)c2ncccc2c1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H33N3O3S.2ClH/c1-3-5-7-18-16-19-8-6-11-23-22(19)21(17-18)28-20-9-13-25(14-10-20)15-12-24-29(26,27)4-2;;/h6,8,11,16-17,20,24H,3-5,7,9-10,12-15H2,1-2H3;2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIJDRPKTQXQTQO-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: PT01206, Histamine H1 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2