General Information of the Compound
| Compound ID |
CP0709872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-bromo-2,5-dimethoxyphenyl)-N-(2-fluoro-3-methoxybenzyl)ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21BrFNO3
|
||||||||||||||||||
| Molecular Weight |
398.272
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CCNCc2cccc(OC)c2F)c(OC)cc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21BrFNO3/c1-22-15-6-4-5-13(18(15)20)11-21-8-7-12-9-17(24-3)14(19)10-16(12)23-2/h4-6,9-10,21H,7-8,11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GXBUJLFNLNQTNI-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