General Information of the Compound
| Compound ID |
CP0442963
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8853203, 123
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N4O2
|
||||||||||||||||||
| Molecular Weight |
376.46
|
||||||||||||||||||
| Canonical SMILES |
CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N4O2/c1-14(28-2)19-12-25(13-24-19)21-10-20-18-5-3-4-16(15-6-7-15)17(18)8-9-26(20)22(27)11-23-21/h3-5,10,12-15H,6-9,11H2,1-2H3/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQOISLJJQCLDRI-CQSZACIVSA-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