General Information of the Compound
| Compound ID |
CP0534736
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-4-[[(2,6-dinitrophenyl)-hydroxymethyl]-hydroxyphosphoryl]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H14N3O9P
|
||||||||||||||||||
| Molecular Weight |
363.219
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](CCP(O)(=O)C(O)c1c(cccc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H14N3O9P/c12-6(10(15)16)4-5-24(22,23)11(17)9-7(13(18)19)2-1-3-8(9)14(20)21/h1-3,6,11,17H,4-5,12H2,(H,15,16)(H,22,23)/t6-,11?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CPZRJQKWUIYUKI-OCAOPBLFSA-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