General Information of the Compound
| Compound ID |
CP0153394
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxythiophene-3-ylmethyl)pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H13N3O6S
|
||||||||||||||||||
| Molecular Weight |
339.329
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](Cn1ccc(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H13N3O6S/c14-8(11(18)19)6-15-3-1-9(17)16(13(15)22)5-7-2-4-23-10(7)12(20)21/h1-4,8H,5-6,14H2,(H,18,19)(H,20,21)/t8-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UAXLYVRHOALTNF-QMMMGPOBSA-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: PT01518, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02201, Glutamate receptor ionotropic, kainate 2