General Information of the Compound
Compound ID
CP0895238
Compound Name
sodium 6-(2-(benzyloxy)phenylamino)picolinate
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Structure
Formula
C19H15N2NaO3
Molecular Weight
342.33
Canonical SMILES
O=C([O-])c1cccc(Nc2ccccc2OCc2ccccc2)n1.[Na+]
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InChI
InChI=1S/C19H16N2O3.Na/c22-19(23)16-10-6-12-18(21-16)20-15-9-4-5-11-17(15)24-13-14-7-2-1-3-8-14;/h1-12H,13H2,(H,20,21)(H,22,23);/q;+1/p-1
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InChIKey
AMPAXZFJRALOHL-UHFFFAOYSA-M
Physicochemical Property
logP
-0.2283
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
74.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 44448985
ChEMBL ID
CHEMBL257792
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: PT01205, Prostaglandin E2 receptor EP1 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 < 1000 nM
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