General Information of the Compound
| Compound ID |
CP0288665
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2,3-dimethylquinolin-4-yl)-[4-(octahydro-2H-pyrido[1,2-a]-pyrazin-2-yl)phenyl]amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N4
|
||||||||||||||||||
| Molecular Weight |
386.543
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N4/c1-18-19(2)26-24-9-4-3-8-23(24)25(18)27-20-10-12-21(13-11-20)29-16-15-28-14-6-5-7-22(28)17-29/h3-4,8-13,22H,5-7,14-17H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZAWJNSMQVUPQW-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