General Information of the Compound
| Compound ID |
CP0095892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-bromo-2,5-dimethoxyphenyl)-N,N-dimethylethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H18BrNO2
|
||||||||||||||||||
| Molecular Weight |
288.185
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CCN(C)C)c(OC)cc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H18BrNO2/c1-14(2)6-5-9-7-12(16-4)10(13)8-11(9)15-3/h7-8H,5-6H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVKVAJAGQDVFFZ-UHFFFAOYSA-N
|
||||||||||||||||||
| 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