General Information of the Compound
| Compound ID |
CP0435360
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aS)-3-ethyl-10,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25NO2
|
||||||||||||||||||
| Molecular Weight |
323.436
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc-2c3[C@H](Cc4ccc(OC)c(OC)c-24)N(C)CCc13
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25NO2/c1-5-13-6-8-16-19-14(7-9-18(23-3)21(19)24-4)12-17-20(16)15(13)10-11-22(17)2/h6-9,17H,5,10-12H2,1-4H3/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FTEACBHSVWHXQR-KRWDZBQOSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor