General Information of the Compound
| Compound ID |
CP0853864
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4,5-Dihydro-1H-imidazol-2-ylmethyl)-[2-(propane-1-sulfonyl)-phenyl]-amine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H20ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
317.842
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)c1ccccc1NCC1=NCCN1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H19N3O2S.ClH/c1-2-9-19(17,18)12-6-4-3-5-11(12)16-10-13-14-7-8-15-13;/h3-6,16H,2,7-10H2,1H3,(H,14,15);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPLCUMGTKWCTIH-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