General Information of the Compound
Compound ID
CP0445963
Compound Name
(1S,2S,4R,5R,6R)-2-amino-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Structure
Formula
C8H11NO5
Molecular Weight
201.178
Canonical SMILES
N[C@]1(C[C@@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
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InChI
InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2-,3+,4+,5+,8+/m1/s1
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InChIKey
XMDLTKGXRPVDSY-RTHBWCHNSA-N
Physicochemical Property
logP
-1.5201
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
120.85
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: 70052526
ChEMBL ID
CHEMBL2381642
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)  2
1
EC50 = 7.6 nM
   TI
   LI
   LO
   TS
2
Ki = 166 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8.6 nM
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 = 14.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11.2 nM
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
EC50 = 4370 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 > 25000 nM
   TI
   LI
   LO
   TS