General Information of the Compound
Compound ID
CP0408381
Compound Name
6-[(5-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
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Structure
Formula
C21H17N3O3
Molecular Weight
359.385
Canonical SMILES
COc1ccn2nc(c(Cc3cccc(n3)C(O)=O)c2c1)-c1ccccc1
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InChI
InChI=1S/C21H17N3O3/c1-27-16-10-11-24-19(13-16)17(20(23-24)14-6-3-2-4-7-14)12-15-8-5-9-18(22-15)21(25)26/h2-11,13H,12H2,1H3,(H,25,26)
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InChIKey
WDIYGCMLWLYDPG-UHFFFAOYSA-N
Physicochemical Property
logP
3.6939
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
76.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 86704834
ChEMBL ID
CHEMBL4096532
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 = 9100 nM
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