General Information of the Compound
| Compound ID |
CP0456677
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-propyl-N-(6,7,8,9-tetrahydro-3H-benzo[e]indol-8-ylmethyl)propan-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H28N2
|
||||||||||||||||||
| Molecular Weight |
284.447
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)CC1CCc2ccc3[nH]ccc3c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H28N2/c1-3-11-21(12-4-2)14-15-5-6-16-7-8-19-17(9-10-20-19)18(16)13-15/h7-10,15,20H,3-6,11-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCNLBXIMJJIDHU-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: PT00957, D(2) dopamine receptor