General Information of the Compound
| Compound ID |
CP0446341
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-dimethylamino-3-(3-fluoro-4-methyl-phenyl)-3H-pyrido[4',3':4,5]thieno[3,2-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15FN4OS
|
||||||||||||||||||
| Molecular Weight |
354.41
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1cncc2sc3c(ncn(-c4ccc(C)c(F)c4)c3=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15FN4OS/c1-10-4-5-11(6-12(10)19)23-9-21-16-15-13(22(2)3)7-20-8-14(15)25-17(16)18(23)24/h4-9H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BFSQSXYELOIUJW-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: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT01247, Metabotropic glutamate receptor 5