General Information of the Compound
Compound ID
CP0058507
Compound Name
(1R,2R)-1-[(2S)-2-amino-2-carboxyethyl]cyclopropane-1,2-dicarboxylic acid
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Structure
Formula
C8H11NO6
Molecular Weight
217.177
Canonical SMILES
N[C@@H](C[C@@]1(C[C@H]1C(O)=O)C(O)=O)C(O)=O
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InChI
InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8+/m0/s1
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InChIKey
BHSHZTNHTMTQFY-MSIVUJLLSA-N
Physicochemical Property
logP
-1.0361
Rotatable Bonds
5
Heavy Atom Count
15
Polar Areas
137.92
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
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: 127030387
ChEMBL ID
CHEMBL3786667
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: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 130 nM
   TI
   LI
   LO
   TS
Protein ID: PT02445, Metabotropic glutamate receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 490 nM
   TI
   LI
   LO
   TS
Protein ID: PT04980, Metabotropic glutamate receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 680 nM
   TI
   LI
   LO
   TS