General Information of the Compound
| Compound ID |
CP0639437
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-(3,4-dimethoxybenzyl)-1H-indol-3-yl)-N,N,N-trimethylmethanaminium iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27IN2O2
|
||||||||||||||||||
| Molecular Weight |
466.363
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2cc(C[N+](C)(C)C)c3ccccc32)cc1OC.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N2O2.HI/c1-23(2,3)15-17-14-22(19-9-7-6-8-18(17)19)13-16-10-11-20(24-4)21(12-16)25-5;/h6-12,14H,13,15H2,1-5H3;1H/q+1;/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBFGMDSBFKIMRK-UHFFFAOYSA-M
|
||||||||||||||||||
| 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