General Information of the Compound
| Compound ID |
CP0856441
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)-N-((2',6'-dimethylbiphenyl-4-yl)methyl)-N,N-dimethylmethanaminium iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H36IN
|
||||||||||||||||||
| Molecular Weight |
501.496
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1-c1ccc(C[N+](C)(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H36N.HI/c1-19-8-7-9-20(2)26(19)22-12-10-21(11-13-22)17-28(5,6)18-23-14-15-24-16-25(23)27(24,3)4;/h7-14,24-25H,15-18H2,1-6H3;1H/q+1;/p-1/t24-,25-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IMZRRGLIKFRUKB-DKIIUIKKSA-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