General Information of the Compound
Compound ID
CP0394652
Compound Name
(1R,2R,3R,5R,6R)-2-Amino-6-fluoro-3-propoxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Structure
Formula
C11H16FNO5
Molecular Weight
261.249
Canonical SMILES
CCCO[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/C11H16FNO5/c1-2-3-18-6-4-5-7(10(5,12)8(14)15)11(6,13)9(16)17/h5-7H,2-4,13H2,1H3,(H,14,15)(H,16,17)/t5-,6-,7+,10-,11+/m1/s1
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InChIKey
HEHQZRZFZLKBLW-DRGKHVIXSA-N
Physicochemical Property
logP
0.0063
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: 11196276
SID: 16277805
ChEMBL ID
CHEMBL434338
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 = 5.17 nM
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