General Information of the Compound
| Compound ID |
CP0423061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-(4-Fluoro-phenyl)-pyridin-3-ylmethyl]-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20FN5
|
||||||||||||||||||
| Molecular Weight |
349.413
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cnccn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20FN5/c21-19-3-1-17(2-4-19)18-11-16(12-23-13-18)15-25-7-9-26(10-8-25)20-14-22-5-6-24-20/h1-6,11-14H,7-10,15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVEQYQHSBOYABA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor