General Information of the Compound
| Compound ID |
CP0635616
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-benzyl-1H-indol-3-yl)-N,N,N-trimethylmethanaminium iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23IN2
|
||||||||||||||||||
| Molecular Weight |
406.311
|
||||||||||||||||||
| Canonical SMILES |
C[N+](C)(C)Cc1cn(Cc2ccccc2)c2ccccc12.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23N2.HI/c1-21(2,3)15-17-14-20(13-16-9-5-4-6-10-16)19-12-8-7-11-18(17)19;/h4-12,14H,13,15H2,1-3H3;1H/q+1;/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLNNOEALEHHOKE-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