General Information of the Compound
| Compound ID |
CP0476518
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N4O
|
||||||||||||||||||
| Molecular Weight |
400.526
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1ccccn1)Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N4O/c30-25(20-23-6-4-5-14-26-23)27-22-11-9-21(10-12-22)13-15-28-16-18-29(19-17-28)24-7-2-1-3-8-24/h1-12,14H,13,15-20H2,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICADOZGMHMZBEZ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor