General Information of the Compound
| Compound ID |
CP0667134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(4-Methoxy-phenylsulfanyl)-5-methyl-phenyl]-piperazine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23ClN2OS
|
||||||||||||||||||
| Molecular Weight |
350.915
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N2OS.ClH/c1-14-3-8-18(17(13-14)20-11-9-19-10-12-20)22-16-6-4-15(21-2)5-7-16;/h3-8,13,19H,9-12H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
OIMAWSBVYIVFBR-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