General Information of the Compound
| Compound ID |
CP0532153
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(2-chloro-5-fluorophenoxy)ethyl]-2-(2-methylsulfonylphenyl)ethanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19ClFNO3S
|
||||||||||||||||||
| Molecular Weight |
371.861
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccccc1CCNCCOc1cc(F)ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19ClFNO3S/c1-24(21,22)17-5-3-2-4-13(17)8-9-20-10-11-23-16-12-14(19)6-7-15(16)18/h2-7,12,20H,8-11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UXCFPMQSYGOBHB-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
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor