General Information of the Compound
| Compound ID |
CP0374864
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-hydroxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-methyloxime
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23N5O2
|
||||||||||||||||||
| Molecular Weight |
341.415
|
||||||||||||||||||
| Canonical SMILES |
CO\N=C(/C(O)CN1CCN(CC1)c1ccccn1)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23N5O2/c1-25-21-18(15-5-4-7-19-13-15)16(24)14-22-9-11-23(12-10-22)17-6-2-3-8-20-17/h2-8,13,16,24H,9-12,14H2,1H3/b21-18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXKSRDIYSMBYRH-UZYVYHOESA-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