General Information of the Compound
| Compound ID |
CP0502129
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-amino-3-(1-((S)-1-carboxy-2-phenylethyl)-1H-1,2,3-triazol-4-yl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H16N4O4
|
||||||||||||||||||
| Molecular Weight |
304.306
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](Cc1cn(nn1)[C@@H](Cc1ccccc1)C(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H16N4O4/c15-11(13(19)20)7-10-8-18(17-16-10)12(14(21)22)6-9-4-2-1-3-5-9/h1-5,8,11-12H,6-7,15H2,(H,19,20)(H,21,22)/t11-,12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YIJJCOANLBAJTF-RYUDHWBXSA-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: PT01748, Metabotropic glutamate receptor 2
Protein ID: PT02199, Metabotropic glutamate receptor 4