General Information of the Compound
| Compound ID |
CP0378588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,4-Dimethyl-1-{4-[propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-amino]-butyl}-piperidine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H37N3O2
|
||||||||||||||||||
| Molecular Weight |
423.601
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1CCc2ccc3[nH]ccc3c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H37N3O2/c1-4-13-28(14-5-6-15-29-24(30)17-26(2,3)18-25(29)31)20-9-7-19-8-10-23-21(11-12-27-23)22(19)16-20/h8,10-12,20,27H,4-7,9,13-18H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMWZSACWHHMURD-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