General Information of the Compound
| Compound ID |
CP0420797
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(5S,6R)-6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] trifluoromethanesulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H26F3NO3S
|
||||||||||||||||||
| Molecular Weight |
393.471
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)[C@@H]1CCc2c(OS(=O)(=O)C(F)(F)F)cccc2[C@@H]1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H26F3NO3S/c1-4-11-22(12-5-2)16-10-9-15-14(13(16)3)7-6-8-17(15)25-26(23,24)18(19,20)21/h6-8,13,16H,4-5,9-12H2,1-3H3/t13-,16+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUVDWLPPMXZXRR-XJKSGUPXSA-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: PT01513, 5-hydroxytryptamine receptor 5A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor