General Information of the Compound
Compound ID
CP0406611
Compound Name
(2S,1'R,2'S)-2-(2'-sulfonocyclopropyl)glycine
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Structure
Formula
C5H9NO5S
Molecular Weight
195.196
Canonical SMILES
N[C@@H]([C@H]1C[C@@H]1S(O)(=O)=O)C(O)=O
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InChI
InChI=1S/C5H9NO5S/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H,9,10,11)/t2-,3-,4-/m0/s1
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InChIKey
XFYDZMMMXYAZLT-HZLVTQRSSA-N
Physicochemical Property
logP
-1.3254
Rotatable Bonds
3
Heavy Atom Count
12
Polar Areas
117.69
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
12

"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: 17758443
SID: 29219394
ChEMBL ID
CHEMBL231157
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: PT01994, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000051 BHK-21 Mesocricetus auratus (Golden hamster)  1
1
Ki = 34000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000051 BHK-21 Mesocricetus auratus (Golden hamster)  1
1
Ki = 49000 nM
   TI
   LI
   LO
   TS