General Information of the Compound
| Compound ID |
CP0906356
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Phenyl-4-[4-(3-phenyl-isoxazol-5-yl)-butyl]-piperazine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28ClN3O
|
||||||||||||||||||
| Molecular Weight |
397.95
|
||||||||||||||||||
| Canonical SMILES |
Cl.c1ccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N3O.ClH/c1-3-9-20(10-4-1)23-19-22(27-24-23)13-7-8-14-25-15-17-26(18-16-25)21-11-5-2-6-12-21;/h1-6,9-12,19H,7-8,13-18H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
BNTMSUGRWBICCC-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