General Information of the Compound
| Compound ID |
CP0450153
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8853203, 110b
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20N6O
|
||||||||||||||||||
| Molecular Weight |
360.421
|
||||||||||||||||||
| Canonical SMILES |
O=C1CN=C(C=C2N1CCc1c2ccnc1C1CC1)n1cnc(n1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N6O/c27-18-10-22-17(26-11-23-20(24-26)13-3-4-13)9-16-14-5-7-21-19(12-1-2-12)15(14)6-8-25(16)18/h5,7,9,11-13H,1-4,6,8,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IWTWFERWDUPNML-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