General Information of the Compound
Compound ID
CP0482643
Compound Name
2-amino-3-(5-oxo-2-propyl-1H-triazol-4-yl)propanoic acid
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Structure
Formula
C8H14N4O3
Molecular Weight
214.225
Canonical SMILES
CCCn1nc(O)c(CC(N)C(O)=O)n1
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InChI
InChI=1S/C8H14N4O3/c1-2-3-12-10-6(7(13)11-12)4-5(9)8(14)15/h5H,2-4,9H2,1H3,(H,11,13)(H,14,15)
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InChIKey
FGCRXYQHIDORDD-UHFFFAOYSA-N
Physicochemical Property
logP
-0.6519
Rotatable Bonds
5
Heavy Atom Count
15
Polar Areas
114.26
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
15

"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: 155522120
ChEMBL ID
CHEMBL4451018
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 > 100000 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 > 100000 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 > 100000 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 > 100000 nM
   TI
   LI
   LO
   TS