General Information of the Compound
| Compound ID |
CP0483352
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]hexyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30Cl3N3O2S
|
||||||||||||||||||
| Molecular Weight |
554.971
|
||||||||||||||||||
| Canonical SMILES |
Cl.Clc1ccc(cc1Cl)N1CCN(CCCCCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29Cl2N3O2S.ClH/c27-22-12-11-21(19-23(22)28)30-17-15-29(16-18-30)13-3-1-2-4-14-31-24-9-5-7-20-8-6-10-25(26(20)24)34(31,32)33;/h5-12,19H,1-4,13-18H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZAOMPSPVCHNNQ-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor