General Information of the Compound
| Compound ID |
CP0507056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-4-[[amino-(5-nitrothiophen-3-yl)methyl]-hydroxyphosphoryl]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H14N3O6PS
|
||||||||||||||||||
| Molecular Weight |
323.267
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](CCP(O)(=O)C(N)c1csc(c1)[N+]([O-])=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H14N3O6PS/c10-6(9(13)14)1-2-19(17,18)8(11)5-3-7(12(15)16)20-4-5/h3-4,6,8H,1-2,10-11H2,(H,13,14)(H,17,18)/t6-,8?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWKCLORKWKMUIF-UUEFVBAFSA-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: PT02739, Metabotropic glutamate receptor 8