General Information of the Compound
| Compound ID |
CP0859228
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2H-Benzo[1,4]oxazin-3-yl)-[5-(4-phenyl-piperazin-1-yl)-pentyl]-amine hydrobromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31BrN4O
|
||||||||||||||||||
| Molecular Weight |
459.432
|
||||||||||||||||||
| Canonical SMILES |
Br.c1ccc(N2CCN(CCCCCNC3=Nc4ccccc4OC3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N4O.BrH/c1-3-9-20(10-4-1)27-17-15-26(16-18-27)14-8-2-7-13-24-23-19-28-22-12-6-5-11-21(22)25-23;/h1,3-6,9-12H,2,7-8,13-19H2,(H,24,25);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
UEITZSRVSGIJGE-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor