General Information of the Compound
Compound ID
CP0411211
Compound Name
(2S,4R)-4-(3-carboxynaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid
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Structure
Formula
C16H15NO5
Molecular Weight
301.298
Canonical SMILES
OC(=O)[C@@H]1C[C@H](CN1)Oc1cc2ccccc2cc1C(O)=O
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InChI
InChI=1S/C16H15NO5/c18-15(19)12-5-9-3-1-2-4-10(9)6-14(12)22-11-7-13(16(20)21)17-8-11/h1-6,11,13,17H,7-8H2,(H,18,19)(H,20,21)/t11-,13+/m1/s1
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InChIKey
DHPQJRYFIYLEEK-YPMHNXCESA-N
Physicochemical Property
logP
1.7319
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
95.86
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 90480167
ChEMBL ID
CHEMBL4090052
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: 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