General Information of the Compound
Compound ID
CP0522472
Compound Name
(S)-2-Amino-4-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-butyric acid
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Structure
Formula
C6H9N3O5
Molecular Weight
203.154
Canonical SMILES
N[C@@H](CCn1oc(=O)[nH]c1=O)C(O)=O
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InChI
InChI=1S/C6H9N3O5/c7-3(4(10)11)1-2-9-5(12)8-6(13)14-9/h3H,1-2,7H2,(H,10,11)(H,8,12,13)/t3-/m0/s1
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InChIKey
MYEZMCPZYGQLNG-VKHMYHEASA-N
Physicochemical Property
logP
-2.0684
Rotatable Bonds
4
Heavy Atom Count
14
Polar Areas
131.32
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
14

"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).

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PubChem ID
CID: 11820180
SID: 16936735
ChEMBL ID
CHEMBL126608
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: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS