General Information of the Compound
Compound ID
CP0409585
Compound Name
(2S,4R)-4-(2-carboxy-4-methylphenoxy)pyrrolidine-2-carboxylic acid
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Structure
Formula
C13H15NO5
Molecular Weight
265.265
Canonical SMILES
Cc1ccc(O[C@H]2CN[C@@H](C2)C(O)=O)c(c1)C(O)=O
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InChI
InChI=1S/C13H15NO5/c1-7-2-3-11(9(4-7)12(15)16)19-8-5-10(13(17)18)14-6-8/h2-4,8,10,14H,5-6H2,1H3,(H,15,16)(H,17,18)/t8-,10+/m1/s1
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InChIKey
YESCKBUNHXESRW-SCZZXKLOSA-N
Physicochemical Property
logP
0.88712
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
95.86
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 90480199
ChEMBL ID
CHEMBL4105498
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: PT01414, Glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000314 HEK293T/17 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02201, Glutamate receptor ionotropic, kainate 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000314 HEK293T/17 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02970, Glutamate receptor ionotropic, kainate 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000314 HEK293T/17 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS