General Information of the Compound
| Compound ID |
CP0390271
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8853203, 13
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19ClN2O3
|
||||||||||||||||||
| Molecular Weight |
382.847
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)C1=NCC(=O)N2CCc3c(OC)c(Cl)ccc3C2=C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19ClN2O3/c1-26-14-5-3-4-13(10-14)18-11-19-15-6-7-17(22)21(27-2)16(15)8-9-24(19)20(25)12-23-18/h3-7,10-11H,8-9,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQLNLYNPYFHOMH-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