General Information of the Compound
| Compound ID |
CP0516659
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8853203, 43
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N3O2
|
||||||||||||||||||
| Molecular Weight |
375.472
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)C1=NCC(=O)N2CCc3c(CN(C)C)cccc3C2=C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N3O2/c1-25(2)15-17-7-5-9-20-19(17)10-11-26-22(20)13-21(24-14-23(26)27)16-6-4-8-18(12-16)28-3/h4-9,12-13H,10-11,14-15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DABKOAXUSJASHF-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