General Information of the Compound
Compound ID
CP0461855
Compound Name
1-[(6-methoxy-2-phenylpyrazolo[1,5-a]pyridin-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
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Structure
Formula
C20H18N4O3
Molecular Weight
362.389
Canonical SMILES
COc1ccc2cc(nn2c1Cn1nc(cc1C)C(O)=O)-c1ccccc1
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InChI
InChI=1S/C20H18N4O3/c1-13-10-17(20(25)26)21-23(13)12-18-19(27-2)9-8-15-11-16(22-24(15)18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,25,26)
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InChIKey
UGFWWEDIMCNJAR-UHFFFAOYSA-N
Physicochemical Property
logP
3.26132
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
81.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 137634190
ChEMBL ID
CHEMBL4067673
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 = 1500 nM
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