General Information of the Compound
Compound ID
CP0494019
Compound Name
5-[(6-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]furan-2-carboxylic acid
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Structure
Formula
C20H16N2O4
Molecular Weight
348.358
Canonical SMILES
COc1ccc2c(Cc3ccc(o3)C(O)=O)c(nn2c1)-c1ccccc1
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InChI
InChI=1S/C20H16N2O4/c1-25-15-7-9-17-16(11-14-8-10-18(26-14)20(23)24)19(21-22(17)12-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,23,24)
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InChIKey
RATOLSUFBLQHQN-UHFFFAOYSA-N
Physicochemical Property
logP
3.8919
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
76.97
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 60151284
SID: 144082015
ChEMBL ID
CHEMBL4072169
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 = 60 nM
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