General Information of the Compound
| Compound ID |
CP0043151
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25N3
|
||||||||||||||||||
| Molecular Weight |
295.43
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)C1CCc2ccc3[nH]cc(C#N)c3c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(12-20)13-21-18/h6,8,13,16,21H,3-5,7,9-11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODCNQSRYNGLVNW-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