General Information of the Compound
| Compound ID |
CP0426984
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,3-dihydro-9-(4-methoxyphenyl)-1H-pyrimido[4'',5'':4',5']thieno[3',2':5,6]pyrido[3,4-b][1,4]oxazin-8(9H)-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
BDBM50224405
GTPL6345
PMID17929793C23c
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14N4O3S
|
||||||||||||||||||
| Molecular Weight |
366.402
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14N4O3S/c1-24-11-4-2-10(3-5-11)22-9-21-15-13-14-12(25-7-6-19-14)8-20-17(13)26-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUCDOJMOTMEEOF-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5
Clinical Information about the Compound