General Information of the Compound
Compound ID
CP0395854
Compound Name
(1S,2S,5R,6R)-2-amino-4-oxobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Structure
Formula
C8H9NO5
Molecular Weight
199.162
Canonical SMILES
N[C@]1(CC(=O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
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InChI
InChI=1S/C8H9NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h3-5H,1,9H2,(H,11,12)(H,13,14)/t3-,4-,5-,8-/m0/s1
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InChIKey
XHBZYLUDOIQPFQ-RGDLXGNYSA-N
Physicochemical Property
logP
-1.3119
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
117.69
Hydrogen Bond Donor Count
3
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: 9794208
SID: 14748672
ChEMBL ID
CHEMBL2381640
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000125 MCB3901 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 0.16 nM
   TI
   LI
   LO
   TS
Protein ID: PT01312, Metabotropic glutamate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000125 MCB3901 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 0.11 nM
   TI
   LI
   LO
   TS
Protein ID: PT02744, Metabotropic glutamate receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000125 MCB3901 Mesocricetus auratus (Golden hamster)  1
1
IC50 = 1380 nM
   TI
   LI
   LO
   TS
Protein ID: PT02739, Metabotropic glutamate receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000125 MCB3901 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 6530 nM
   TI
   LI
   LO
   TS