General Information of the Compound
| Compound ID |
CP0859683
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Phenyl-4-[4-(3-thiophen-2-yl-isoxazol-5-yl)-butyl]-piperazine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26ClN3OS
|
||||||||||||||||||
| Molecular Weight |
403.979
|
||||||||||||||||||
| Canonical SMILES |
Cl.c1ccc(N2CCN(CCCCc3cc(-c4cccs4)no3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3OS.ClH/c1-2-7-18(8-3-1)24-14-12-23(13-15-24)11-5-4-9-19-17-20(22-25-19)21-10-6-16-26-21;/h1-3,6-8,10,16-17H,4-5,9,11-15H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCKGYXVPFNYGPA-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