General Information of the Compound
| Compound ID |
CP0424195
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N2OS
|
||||||||||||||||||
| Molecular Weight |
366.53
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N2OS/c1-2-10-24(11-9-19-4-3-12-26-19)18-7-5-16-6-8-21-22(20(16)13-18)17(15-25)14-23-21/h3-4,6,8,12,14-15,18,23H,2,5,7,9-11,13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NATZFOMSDOBVCC-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