General Information of the Compound
| Compound ID |
CP0392916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4aR,11bS)-4-propyl-2,3,4a,5,6,8,9,11b-octahydro-[1]benzofuro[5,6-h][1,4]benzoxazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H23NO2
|
||||||||||||||||||
| Molecular Weight |
273.376
|
||||||||||||||||||
| Canonical SMILES |
CCCN1CCO[C@@H]2[C@H]1CCc1cc3CCOc3cc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H23NO2/c1-2-6-18-7-9-20-17-14-11-16-13(5-8-19-16)10-12(14)3-4-15(17)18/h10-11,15,17H,2-9H2,1H3/t15-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLSIVBGRMUBBOL-WBVHZDCISA-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