General Information of the Compound
Compound ID
CP0479107
Compound Name
(S)-1-(2-amino-2-carboxyethyl)-1H-1,2,3-triazole-4-carboxylic acid
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Structure
Formula
C6H8N4O4
Molecular Weight
200.154
Canonical SMILES
N[C@@H](Cn1cc(nn1)C(O)=O)C(O)=O
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InChI
InChI=1S/C6H8N4O4/c7-3(5(11)12)1-10-2-4(6(13)14)8-9-10/h2-3H,1,7H2,(H,11,12)(H,13,14)/t3-/m0/s1
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InChIKey
FOAQSAOIBZTITH-VKHMYHEASA-N
Physicochemical Property
logP
-1.6118
Rotatable Bonds
4
Heavy Atom Count
14
Polar Areas
131.33
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: 52941386
ChEMBL ID
CHEMBL1288410
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS