General Information of the Compound
Compound ID
CP0381873
Compound Name
(2S,4R)-2-amino-4-(3-aminopropyl)pentanedioic acid
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Structure
Formula
C8H16N2O4
Molecular Weight
204.226
Canonical SMILES
NCCC[C@H](C[C@H](N)C(O)=O)C(O)=O
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InChI
InChI=1S/C8H16N2O4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1
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InChIKey
APZMCUMLPRUVCO-RITPCOANSA-N
Physicochemical Property
logP
-0.7719
Rotatable Bonds
7
Heavy Atom Count
14
Polar Areas
126.64
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
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: 71574840
SID: 163618678
ChEMBL ID
CHEMBL2312685
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: 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 = 5530 nM
   TI
   LI
   LO
   TS
Protein ID: PT02201, Glutamate receptor ionotropic, kainate 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 83100 nM
   TI
   LI
   LO
   TS
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 10200 nM
   TI
   LI
   LO
   TS