General Information of the Compound
| Compound ID |
CP0459000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8853203, 99l
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18F2N4O
|
||||||||||||||||||
| Molecular Weight |
368.387
|
||||||||||||||||||
| Canonical SMILES |
FC(F)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18F2N4O/c21-20(22)16-10-25(11-24-16)18-8-17-15-3-1-2-13(12-4-5-12)14(15)6-7-26(17)19(27)9-23-18/h1-3,8,10-12,20H,4-7,9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FJMUBIPCGBRIPD-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