General Information of the Compound
Compound ID
CP0499045
Compound Name
(1R,2R,3R,5R,6R)-2-Amino-6-fluoro-3-(naphthalen-2-ylmethoxy)-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Structure
Formula
C19H18FNO5
Molecular Weight
359.353
Canonical SMILES
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc3ccccc3c1)[C@]2(F)C(O)=O)C(O)=O
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InChI
InChI=1S/C19H18FNO5/c20-18(16(22)23)13-8-14(19(21,15(13)18)17(24)25)26-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-15H,8-9,21H2,(H,22,23)(H,24,25)/t13-,14-,15+,18-,19+/m1/s1
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InChIKey
BBDMJGONEUTSEP-HIGHGGLBSA-N
Physicochemical Property
logP
1.9497
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
109.85
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 11405687
SID: 16501286
ChEMBL ID
CHEMBL185210
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 = 22.7 nM
   TI
   LI
   LO
   TS
2
Ki = 2.53 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 = 5.43 nM
   TI
   LI
   LO
   TS