General Information of the Compound
| Compound ID |
CP0390269
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8853203, 9
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N3O3
|
||||||||||||||||||
| Molecular Weight |
349.39
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(n1)C1=NCC(=O)N2CCc3c(OC)cccc3C2=C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N3O3/c1-25-18-7-3-5-13-14(18)9-10-23-17(13)11-16(21-12-20(23)24)15-6-4-8-19(22-15)26-2/h3-8,11H,9-10,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FCENUTVRDWWAEL-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