General Information of the Compound
| Compound ID |
CP0534198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3-chlorophenyl)methoxy]-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H13ClN2O3
|
||||||||||||||||||
| Molecular Weight |
292.722
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(COc2cc(=O)n3CCOCc3n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H13ClN2O3/c15-11-3-1-2-10(6-11)8-20-13-7-14(18)17-4-5-19-9-12(17)16-13/h1-3,6-7H,4-5,8-9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXRWVCAOQFLDKQ-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: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT00854, Metabotropic glutamate receptor 5