General Information of the Compound
Compound ID
CP0491987
Compound Name
(1R,2R,3R,5R,6R)-3-Allyloxy-2-amino-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Structure
Formula
C11H14FNO5
Molecular Weight
259.233
Canonical SMILES
N[C@@]1([C@H]2[C@@H](C[C@H]1OCC=C)[C@]2(F)C(O)=O)C(O)=O
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InChI
InChI=1S/C11H14FNO5/c1-2-3-18-6-4-5-7(10(5,12)8(14)15)11(6,13)9(16)17/h2,5-7H,1,3-4,13H2,(H,14,15)(H,16,17)/t5-,6-,7+,10-,11+/m1/s1
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InChIKey
VQTMRCJHLJOJFW-DRGKHVIXSA-N
Physicochemical Property
logP
-0.2177
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
109.85
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 11817779
SID: 16933650
ChEMBL ID
CHEMBL184441
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)  1
1
Ki = 7.07 nM
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   LI
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