General Information of the Compound
| Compound ID |
CP0914967
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-N,N-dimethyl-N-((3'-nitrobiphenyl-4-yl)methyl)methanaminium iodide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31IN2O2
|
||||||||||||||||||
| Molecular Weight |
518.439
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4cccc([N+](=O)[O-])c4)cc3)[C@@H]1C2.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N2O2.HI/c1-25(2)22-13-12-21(24(25)15-22)17-27(3,4)16-18-8-10-19(11-9-18)20-6-5-7-23(14-20)26(28)29;/h5-12,14,22,24H,13,15-17H2,1-4H3;1H/q+1;/p-1/t22-,24-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGEXEJTVSBGIJD-XYOGLKKJSA-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