General Information of the Compound
| Compound ID |
CP0418093
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9212196, Derivative 18
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H20NO11P
|
||||||||||||||||||
| Molecular Weight |
421.295
|
||||||||||||||||||
| Canonical SMILES |
N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(OCC(O)=O)c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H20NO11P/c16-9(14(21)22)3-4-28(24,25)15(23)8-1-2-10(26-6-12(17)18)11(5-8)27-7-13(19)20/h1-2,5,9,15,23H,3-4,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)(H,24,25)/t9-,15?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LIXSYEXTLWDJIL-WXMRUQJCSA-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: PT02446, Metabotropic glutamate receptor 4
Protein ID: PT04980, Metabotropic glutamate receptor 8