General Information of the Compound
| Compound ID |
CP0872332
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-Iodobenzyl)-N,N-dimethyl-2-(1-adamantyl)ethanaminium iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H31I2N
|
||||||||||||||||||
| Molecular Weight |
551.294
|
||||||||||||||||||
| Canonical SMILES |
C[N+](C)(CCC12CC3CC(CC(C3)C1)C2)Cc1ccc(I)cc1.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H31IN.HI/c1-23(2,15-16-3-5-20(22)6-4-16)8-7-21-12-17-9-18(13-21)11-19(10-17)14-21;/h3-6,17-19H,7-15H2,1-2H3;1H/q+1;/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFBWWNHPOTYOFN-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