General Information of the Compound
Compound ID
CP0497432
Compound Name
(1R,2R,3R,5R,6R)-2-Amino-6-fluoro-3-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Structure
Formula
C8H10FNO5
Molecular Weight
219.168
Canonical SMILES
N[C@@]1([C@H]2[C@@H](C[C@H]1O)[C@]2(F)C(O)=O)C(O)=O
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InChI
InChI=1S/C8H10FNO5/c9-7(5(12)13)2-1-3(11)8(10,4(2)7)6(14)15/h2-4,11H,1,10H2,(H,12,13)(H,14,15)/t2-,3-,4+,7-,8+/m1/s1
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InChIKey
RQMATUGEOACXDC-MSNQUTSYSA-N
Physicochemical Property
logP
-1.428
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
120.85
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 10130658
SID: 16325750
ChEMBL ID
CHEMBL185822
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)  3
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
2
IC50 = 476 nM
   TI
   LI
   LO
   TS
3
Ki = 32.9 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 = 67.1 nM
   TI
   LI
   LO
   TS