General Information of the Compound
| Compound ID |
CP0848969
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3'-Acetylbiphenyl-4-yl)-N-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)-N,N-dimethylmethanaminium iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34INO
|
||||||||||||||||||
| Molecular Weight |
515.479
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1cccc(-c2ccc(C[N+](C)(C)CC3=CC[C@H]4C[C@@H]3C4(C)C)cc2)c1.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34NO.HI/c1-19(29)22-7-6-8-23(15-22)21-11-9-20(10-12-21)17-28(4,5)18-24-13-14-25-16-26(24)27(25,2)3;/h6-13,15,25-26H,14,16-18H2,1-5H3;1H/q+1;/p-1/t25-,26-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LUNWKDKOTHXBHZ-CCQIZPNASA-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