General Information of the Compound
Compound ID
CP0408380
Compound Name
6-[(2-phenyl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
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Structure
Formula
C23H19N3O2
Molecular Weight
369.424
Canonical SMILES
CC(=C)c1ccc2c(Cc3cccc(n3)C(O)=O)c(nn2c1)-c1ccccc1
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InChI
InChI=1S/C23H19N3O2/c1-15(2)17-11-12-21-19(13-18-9-6-10-20(24-18)23(27)28)22(25-26(21)14-17)16-7-4-3-5-8-16/h3-12,14H,1,13H2,2H3,(H,27,28)
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InChIKey
ZRSKQGABHYUEHQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.7184
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
67.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 86704838
ChEMBL ID
CHEMBL4067608
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 = 290 nM
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