General Information of the Compound
| Compound ID |
CP0944418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(Biphenyl-3-yl)-N-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)-N,N-dimethylmethanaminium iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32IN
|
||||||||||||||||||
| Molecular Weight |
473.442
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3cccc(-c4ccccc4)c3)[C@@H]1C2.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N.HI/c1-25(2)23-14-13-22(24(25)16-23)18-26(3,4)17-19-9-8-12-21(15-19)20-10-6-5-7-11-20;/h5-13,15,23-24H,14,16-18H2,1-4H3;1H/q+1;/p-1/t23-,24-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZYVKXGFJXOCJV-UKOKCHKQSA-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