General Information of the Compound
| Compound ID |
CP0850200
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(m-tolyl)-propan-1-one oxime
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24N4O2
|
||||||||||||||||||
| Molecular Weight |
340.427
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(/C(=N/O)C(O)CN2CCN(c3ccccn3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,17,24-25H,9-12,14H2,1H3/b21-19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICPYNMWGXFFVKR-VZCXRCSSSA-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