General Information of the Compound
Compound ID
CP0514767
Compound Name
(S)-1-(2'-Amino-2'-carboxyethyl)quinazoline-2,4(1H,3H)-dione
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Structure
Formula
C11H11N3O4
Molecular Weight
249.226
Canonical SMILES
N[C@@H](Cn1c2ccccc2c(=O)[nH]c1=O)C(O)=O
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InChI
InChI=1S/C11H11N3O4/c12-7(10(16)17)5-14-8-4-2-1-3-6(8)9(15)13-11(14)18/h1-4,7H,5,12H2,(H,16,17)(H,13,15,18)/t7-/m0/s1
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InChIKey
ZYJNLAXHRRAHRR-ZETCQYMHSA-N
Physicochemical Property
logP
-0.8983
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
118.18
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 25129889
SID: 56454247
ChEMBL ID
CHEMBL508818
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 = 2390 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 = 3390 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 = 6910 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 = 15700 nM
   TI
   LI
   LO
   TS
Protein ID: PT02200, Glutamate receptor ionotropic, kainate 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 490 nM
   TI
   LI
   LO
   TS