General Information of the Compound
| Compound ID |
CP0392682
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N2O
|
||||||||||||||||||
| Molecular Weight |
376.544
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N2O/c1-3-16-27(17-6-8-20-7-4-5-9-25(20)28-2)21-12-10-19-11-13-24-22(14-15-26-24)23(19)18-21/h4-5,7,9,11,13-15,21,26H,3,6,8,10,12,16-18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AAYJEWYLPYARLE-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor