General Information of the Compound
| Compound ID |
CP0379149
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N4O2
|
||||||||||||||||||
| Molecular Weight |
374.444
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O2/c1-27-19-7-3-5-15-17(9-11-25-21(15)19)23-13-14-24-18-10-12-26-22-16(18)6-4-8-20(22)28-2/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBEXOFONJDJASX-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor