General Information of the Compound
| Compound ID |
CP0181021
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-methylquinolin-4-yl)-[4-(3,3,4-trimethylpiperazin-1-yl)phenyl]amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N4
|
||||||||||||||||||
| Molecular Weight |
360.505
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N4/c1-17-15-24-21-8-6-5-7-20(21)22(17)25-18-9-11-19(12-10-18)27-14-13-26(4)23(2,3)16-27/h5-12,15H,13-14,16H2,1-4H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXEIREHXCVZQFP-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