General Information of the Compound
| Compound ID |
CP0517440
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N4O2
|
||||||||||||||||||
| Molecular Weight |
390.487
|
||||||||||||||||||
| Canonical SMILES |
O=c1cc(cnn1-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N4O2/c28-23-17-20(18-25-27(23)22-7-2-3-12-24-22)19-8-10-21(11-9-19)29-16-6-15-26-13-4-1-5-14-26/h2-3,7-12,17-18H,1,4-6,13-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBRKSAQXTGMBRJ-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT04865, 5-hydroxytryptamine receptor 3A