General Information of the Compound
| Compound ID |
CP0492679
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8853203, 57
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N2O3
|
||||||||||||||||||
| Molecular Weight |
388.467
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N2O3/c1-28-17-6-2-5-16(13-17)21-14-22-19-7-3-8-20(23-9-4-12-29-23)18(19)10-11-26(22)24(27)15-25-21/h2-3,5-8,13-14,23H,4,9-12,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CRJRLSUPZUHATG-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