General Information of the Compound
Compound ID
CP0491986
Compound Name
(1R,2R,3R,5R,6R)-2-Amino-6-fluoro-3-methoxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Structure
Formula
C9H12FNO5
Molecular Weight
233.195
Canonical SMILES
CO[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O
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InChI
InChI=1S/C9H12FNO5/c1-16-4-2-3-5(8(3,10)6(12)13)9(4,11)7(14)15/h3-5H,2,11H2,1H3,(H,12,13)(H,14,15)/t3-,4-,5+,8-,9+/m1/s1
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InChIKey
DLCJNGFLKRARDD-CGFYFEPUSA-N
Physicochemical Property
logP
-0.7739
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
109.85
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 10192719
SID: 15188981
ChEMBL ID
CHEMBL183956
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: PT01491, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 229 nM
   TI
   LI
   LO
   TS
2
Ki = 39.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT03263, Metabotropic glutamate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 88.1 nM
   TI
   LI
   LO
   TS