General Information of the Compound
Compound ID
CP0523256
Compound Name
6-[(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
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Structure
Formula
C20H15N3O2
Molecular Weight
329.359
Canonical SMILES
OC(=O)c1cccc(Cc2c(nn3ccccc23)-c2ccccc2)n1
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InChI
InChI=1S/C20H15N3O2/c24-20(25)17-10-6-9-15(21-17)13-16-18-11-4-5-12-23(18)22-19(16)14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25)
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InChIKey
ZYVJHYVQBJMNQG-UHFFFAOYSA-N
Physicochemical Property
logP
3.6853
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
67.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 86704827
ChEMBL ID
CHEMBL4092517
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: PT05403, Prostaglandin E2 receptor EP1 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 2300 nM
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