General Information of the Compound
| Compound ID |
CP0385326
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-3-(2,4-dioxothieno[2,3-d]pyrimidin-1-yl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H9N3O4S
|
||||||||||||||||||
| Molecular Weight |
255.255
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](Cn1c2sccc2c(=O)[nH]c1=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H9N3O4S/c10-5(8(14)15)3-12-7-4(1-2-17-7)6(13)11-9(12)16/h1-2,5H,3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MEJFUKWFAQPACJ-YFKPBYRVSA-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: PT01414, Glutamate receptor 2
Protein ID: PT02200, Glutamate receptor ionotropic, kainate 1
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3