General Information of the Compound
| Compound ID |
CP0874395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4,5-Dihydro-1H-imidazol-2-ylmethyl)-(2-methylsulfanyl-phenyl)-amine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H16ClN3S
|
||||||||||||||||||
| Molecular Weight |
257.79
|
||||||||||||||||||
| Canonical SMILES |
CSc1ccccc1NCC1=NCCN1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H15N3S.ClH/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11;/h2-5,14H,6-8H2,1H3,(H,12,13);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGDPWAJDPLTWOW-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor