General Information of the Compound
| Compound ID |
CP0432339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-3-ylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N5O
|
||||||||||||||||||
| Molecular Weight |
401.514
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc(CCN2CCN(CC2)c2ccccc2)cc1)Nc1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N5O/c30-24(27-22-5-4-13-25-19-22)26-21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)23-6-2-1-3-7-23/h1-11,13,19H,12,14-18H2,(H2,26,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JGEMKKMKVJVVKF-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