General Information of the Compound
| Compound ID |
CP0424984
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2,6-dibromo-4-((dimethylamino)methyl)phenoxy)-N,N-dimethylpropan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H22Br2N2O
|
||||||||||||||||||
| Molecular Weight |
394.151
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCOc1c(Br)cc(CN(C)C)cc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H22Br2N2O/c1-17(2)6-5-7-19-14-12(15)8-11(9-13(14)16)10-18(3)4/h8-9H,5-7,10H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGLTWRMVGAXYDZ-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