General Information of the Compound
| Compound ID |
CP0916019
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,1'-(propane-1,3-diyl)bis(8-isopropyl-2-methylisoquinolinium)iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36I2N2
|
||||||||||||||||||
| Molecular Weight |
666.429
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc2cc[n+](C)c(CCCc3c4c(C(C)C)cccc4cc[n+]3C)c12.[I-].[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36N2.2HI/c1-20(2)24-12-7-10-22-16-18-30(5)26(28(22)24)14-9-15-27-29-23(17-19-31(27)6)11-8-13-25(29)21(3)4;;/h7-8,10-13,16-21H,9,14-15H2,1-6H3;2*1H/q+2;;/p-2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYNMIJGMQQSUDT-UHFFFAOYSA-L
|
||||||||||||||||||
| 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: PT05865, Small conductance calcium-activated potassium channel protein 2
Protein ID: PT04088, Small conductance calcium-activated potassium channel protein 3