General Information of the Compound
| Compound ID |
CP0447052
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-4-[hydroxy-[(R)-hydroxy-(4-hydroxy-3-nitrophenyl)methyl]phosphoryl]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H15N2O8P
|
||||||||||||||||||
| Molecular Weight |
334.221
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](CCP(O)(=O)[C@@H](O)c1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H15N2O8P/c12-7(10(15)16)3-4-22(20,21)11(17)6-1-2-9(14)8(5-6)13(18)19/h1-2,5,7,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)/t7-,11+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GAGSUJFFXBSIDN-WRWORJQWSA-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: PT02199, Metabotropic glutamate receptor 4
Protein ID: PT02744, Metabotropic glutamate receptor 6
Protein ID: PT02739, Metabotropic glutamate receptor 8