General Information of the Compound
Compound ID
CP0430047
Compound Name
2-amino-3-(5-hydroxy-3-methyltriazol-4-yl)propanoic acid
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Structure
Formula
C6H10N4O3
Molecular Weight
186.171
Canonical SMILES
Cn1nnc(O)c1CC(N)C(O)=O
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InChI
InChI=1S/C6H10N4O3/c1-10-4(5(11)8-9-10)2-3(7)6(12)13/h3,11H,2,7H2,1H3,(H,12,13)
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InChIKey
TYIWZXWKUZWIIO-UHFFFAOYSA-N
Physicochemical Property
logP
-1.5249
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
114.26
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
13

"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: 127039194
ChEMBL ID
CHEMBL3742451
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: PT02409, Glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 15700 nM
   TI
   LI
   LO
   TS
Protein ID: PT01414, Glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 1870 nM
   TI
   LI
   LO
   TS
Protein ID: PT03116, Glutamate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 4980 nM
   TI
   LI
   LO
   TS
Protein ID: PT06060, Glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 4080 nM
   TI
   LI
   LO
   TS