General Information of the Compound
| Compound ID |
CP0547713
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8853203, 94
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21FN6O
|
||||||||||||||||||
| Molecular Weight |
416.46
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccnc3C2=C1)-c1ccc(F)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21FN6O/c1-14(2)18-12-29(13-28-18)21-9-19-23-17(6-8-30(19)22(31)11-27-21)16(5-7-25-23)15-3-4-20(24)26-10-15/h3-5,7,9-10,12-14H,6,8,11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PEPXYJIHFLPBBZ-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