General Information of the Compound
Compound ID
CP0489171
Compound Name
6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
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Structure
Formula
C21H17N3O2
Molecular Weight
343.386
Canonical SMILES
Cc1ccc2c(Cc3cccc(n3)C(O)=O)c(nn2c1)-c1ccccc1
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InChI
InChI=1S/C21H17N3O2/c1-14-10-11-19-17(12-16-8-5-9-18(22-16)21(25)26)20(23-24(19)13-14)15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,25,26)
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InChIKey
MAFSEYQCCGCGCL-UHFFFAOYSA-N
Physicochemical Property
logP
3.99372
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
67.49
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 60151153
SID: 144081867
ChEMBL ID
CHEMBL4062060
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 = 19 nM
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