General Information of the Compound
| Compound ID |
CP0398241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-yl) trifluoromethanesulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20F3NO3S
|
||||||||||||||||||
| Molecular Weight |
363.401
|
||||||||||||||||||
| Canonical SMILES |
CCCN1CCC2C1CCc1c(OS(=O)(=O)C(F)(F)F)cccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20F3NO3S/c1-2-9-20-10-8-12-11-4-3-5-15(13(11)6-7-14(12)20)23-24(21,22)16(17,18)19/h3-5,12,14H,2,6-10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASMVKSNPCVNVFO-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor