General Information of the Compound
| Compound ID |
CP0918977
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(3-Thiophen-2-yl-isoxazol-5-yl)-butyl]-4-o-tolyl-piperazine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28ClN3OS
|
||||||||||||||||||
| Molecular Weight |
418.006
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1N1CCN(CCCCc2cc(-c3cccs3)no2)CC1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3OS.ClH/c1-18-7-2-3-9-21(18)25-14-12-24(13-15-25)11-5-4-8-19-17-20(23-26-19)22-10-6-16-27-22;/h2-3,6-7,9-10,16-17H,4-5,8,11-15H2,1H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZFKCRKQWGLCCW-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