General Information of the Compound
| Compound ID |
CP0938102
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Phenyl-4-[4-(3-styryl-isoxazol-5-yl)-butyl]-piperazine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30ClN3O
|
||||||||||||||||||
| Molecular Weight |
423.988
|
||||||||||||||||||
| Canonical SMILES |
C(=C/c1cc(CCCCN2CCN(c3ccccc3)CC2)on1)\c1ccccc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N3O.ClH/c1-3-9-22(10-4-1)14-15-23-21-25(29-26-23)13-7-8-16-27-17-19-28(20-18-27)24-11-5-2-6-12-24;/h1-6,9-12,14-15,21H,7-8,13,16-20H2;1H/b15-14+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPZBHWMHLKUHEN-WPDLWGESSA-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