General Information of the Compound
Compound ID
CP0140442
Compound Name
(+)-2-Amino-3-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Structure
Formula
C8H10FNO4
Molecular Weight
203.169
Canonical SMILES
N[C@@]1([C@H]2[C@@H](C[C@@H]1F)[C@@H]2C(O)=O)C(O)=O
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InChI
InChI=1S/C8H10FNO4/c9-3-1-2-4(6(11)12)5(2)8(3,10)7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1
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InChIKey
DIWVNJFXRKZAGI-FJNNMDBYSA-N
Physicochemical Property
logP
-0.5429
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
100.62
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 9815616
SID: 14773138
ChEMBL ID
CHEMBL334014
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
EC50 > 100000 nM
   TI
   LI
   LO
   TS
2
Ki = 47.7 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)  2
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
2
Ki = 65.9 nM
   TI
   LI
   LO
   TS