General Information of the Compound
| Compound ID |
CP0162009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N4O2
|
||||||||||||||||||
| Molecular Weight |
402.498
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1cc2ccccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N4O2/c25-18-19-6-5-8-21(16-19)28-14-12-27(13-15-28)11-4-3-10-26-24(29)23-17-20-7-1-2-9-22(20)30-23/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFUIBDRITZEBAF-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: PT00943, D(3) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2