General Information of the Compound
| Compound ID |
CP0891590
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(-)-(S)-6-((2-(4-Phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-yl 4-methoxybenzenesulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H41N3O4S
|
||||||||||||||||||
| Molecular Weight |
563.764
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2c(cccc2OS(=O)(=O)c2ccc(OC)cc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H41N3O4S/c1-3-18-34(22-19-33-20-23-35(24-21-33)27-9-5-4-6-10-27)28-12-17-31-26(25-28)8-7-11-32(31)39-40(36,37)30-15-13-29(38-2)14-16-30/h4-11,13-16,28H,3,12,17-25H2,1-2H3/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZGWAKWNOGWXBF-NDEPHWFRSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor