General Information of the Compound
| Compound ID |
CP0722890
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(2,3-Dimethyl-phenylsulfanyl)-phenyl]-piperazine Hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23ClN2S
|
||||||||||||||||||
| Molecular Weight |
334.916
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(Sc2ccccc2N2CCNCC2)c1C.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N2S.ClH/c1-14-6-5-9-17(15(14)2)21-18-8-4-3-7-16(18)20-12-10-19-11-13-20;/h3-9,19H,10-13H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
HHVBUSGGPUQAOP-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A