General Information of the Compound
| Compound ID |
CP0460999
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(4-methoxyphenyl)-1h-pyrrolo[2'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7(8H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H12N4O2S
|
||||||||||||||||||
| Molecular Weight |
348.387
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H12N4O2S/c1-24-12-4-2-11(3-5-12)22-9-21-15-13-14-10(6-7-19-14)8-20-17(13)25-16(15)18(22)23/h2-9,19H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IBCHXMWHJILXER-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