General Information of the Compound
Compound ID
CP0491988
Compound Name
(1R,2R,3R,5R,6R)-2-Amino-3-benzyloxy-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Structure
Formula
C15H16FNO5
Molecular Weight
309.293
Canonical SMILES
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccccc1)[C@]2(F)C(O)=O)C(O)=O
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InChI
InChI=1S/C15H16FNO5/c16-14(12(18)19)9-6-10(15(17,11(9)14)13(20)21)22-7-8-4-2-1-3-5-8/h1-5,9-11H,6-7,17H2,(H,18,19)(H,20,21)/t9-,10-,11+,14-,15+/m1/s1
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InChIKey
FHUJXFRDZNFBOI-ZNLHFFCSSA-N
Physicochemical Property
logP
0.7965
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
109.85
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 11347391
SID: 16438913
ChEMBL ID
CHEMBL186214
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 = 131 nM
   TI
   LI
   LO
   TS
2
Ki = 7.14 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 = 15.9 nM
   TI
   LI
   LO
   TS