General Information of the Compound
| Compound ID |
CP0850207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-1-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one oxime
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21FN4O
|
||||||||||||||||||
| Molecular Weight |
328.391
|
||||||||||||||||||
| Canonical SMILES |
O/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(21-24)8-10-22-11-13-23(14-12-22)18-3-1-2-9-20-18/h1-7,9,24H,8,10-14H2/b21-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GRYLPWVVANAHBS-HEHNFIMWSA-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: PT01161, D(4) dopamine receptor